dimethyl-1,3-thiazol-2-amine
AlkaPlorer ID: AK267223
Synonym: None
IUPAC Name: 4,5-dimethyl-1,3-thiazol-2-amine
Structure
SMILES: CC1=C(C)SC(=N)N1
InChI: InChI=1S/C5H8N2S/c1-3-4(2)8-5(6)7-3/h1-2H3,(H2,6,7)
InChIKey: XMXLBDNVSIHRRA-UHFFFAOYSA-N
Reference
PubChem CID: 73238
CAS: 2289-75-0
LOTUS: LTS0010969
SuperNatural Ⅲ: SN0434621
COCONUT: CNP0252121
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas tolaasii | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 128.2
TPSA？: 39.64
MolLogP？: 1.17251
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Nitric-oxide synthase, brain | Ki | 380.0 | nM | 10.1016/j.bmc.2008.04.036 |
| None | No relevant target | pKa | 6.28 | None | 10.1016/j.ejmech.2021.113190 |
| None | No relevant target | pKa | 6.29 | None | 10.1016/j.ejmech.2021.113190 |
| None | No relevant target | pKa_B1 | 6.3 | None | 10.6019/CHEMBL3301361 |