Molecule

1-(4-methyl-1,3-thiazol-2-yl)ethan-1-one

AlkaPlorer ID: AK051955

Synonym: None

IUPAC Name: 1-(4-methyl-1,3-thiazol-2-yl)ethanone

SMILES: CC(=O)C1=NC(C)=CS1

InChI: InChI=1S/C6H7NOS/c1-4-3-9-6(7-4)5(2)8/h3H,1-2H3

InChIKey: QPUIPSFYQGKAFL-UHFFFAOYSA-N

PubChem CID: 5324797

CAS: 106898-37-7

NPASS: NPC181300

COCONUT: CNP0322943

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Brassica oleracea	Brassica	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 141.195

TPSA？: 29.96

MolLogP？: 1.65412

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Escherichia coli K-12	D-alanylalanine synthetase	Activity	92.0	%	10.1021/acsmedchemlett.2c00429
Escherichia coli K-12	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	Activity	93.5	%	10.1021/acsmedchemlett.2c00429
Escherichia coli K-12	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	Activity	93.9	%	10.1021/acsmedchemlett.2c00429
Escherichia coli K-12	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	Activity	102.5	%	10.1021/acsmedchemlett.2c00429
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	Activity	78.4	%	10.1021/acsmedchemlett.2c00429
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	Activity	106.4	%	10.1021/acsmedchemlett.2c00429
None	No relevant target	Activity	nan	None	10.1021/acsmedchemlett.2c00429
None	No relevant target	Activity_index	0.8	None	10.1021/acsmedchemlett.2c00429
None	No relevant target	Activity_index	0.9	None	10.1021/acsmedchemlett.2c00429
None	No relevant target	Activity_index	1.0	None	10.1021/acsmedchemlett.2c00429
None	Unchecked	Activity	136.0	%	10.1021/acsmedchemlett.2c00429