Thiangazole
AlkaPlorer ID: AK035245
Synonym: None
IUPAC Name: N,5-dimethyl-2-[(4R)-4-methyl-2-[(4S)-4-methyl-2-[(4S)-4-methyl-2-[(E)-2-phenylethenyl]-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-5H-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxamide
Structure
SMILES: CN=C(O)C1=C(C)OC([C@]2(C)CSC([C@]3(C)CSC([C@]4(C)CSC(/C=C/C5=CC=CC=C5)=N4)=N3)=N2)=N1
InChI: InChI=1S/C26H29N5O2S3/c1-16-19(20(32)27-5)28-21(33-16)24(2)13-35-23(30-24)26(4)15-36-22(31-26)25(3)14-34-18(29-25)12-11-17-9-7-6-8-10-17/h6-12H,13-15H2,1-5H3,(H,27,32)/b12-11+/t24-,25-,26-/m0/s1
InChIKey: IPNBHSCJCMEBFX-WMXIMKIMSA-N
Reference
PubChem CID: 6451119
CAS: 138667-71-7
LOTUS: LTS0239181
SuperNatural Ⅲ: SN0151819-02
{NPAtlas: NPA020598
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Polyangium sp. | Polyangium | Polyangiaceae | Polyangiales | None | Myxococcota | None | Bacteria |
Properties Information
Molecule Weight: 539.7520000000001
TPSA？: 95.7
MolLogP？: 5.799320000000006
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|