6-[4-(2-methylpropyl)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

C14H16N4S — CID 95475103

IUPAC6-[4-(2-methylpropyl)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCC(C)Cc1ccc(-c2csc3nc(N)nn23)cc1
InChIInChI=1S/C14H16N4S/c1-9(2)7-10-3-5-11(6-4-10)12-8-19-14-16-13(15)17-18(12)14/h3-6,8-9H,7H2,1-2H3,(H2,15,17)
InChIKeyCEFVKXWOAWDRRQ-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.24
Rot. Bonds3

About 6-[4-(2-methylpropyl)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

6-[4-(2-methylpropyl)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (PubChem CID 95475103) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 6-[4-(2-methylpropyl)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.

Molecular Properties

Compound Name6-[4-(2-methylpropyl)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
PubChem CID95475103
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name6-[4-(2-methylpropyl)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCC(C)Cc1ccc(-c2csc3nc(N)nn23)cc1
InChIInChI=1S/C14H16N4S/c1-9(2)7-10-3-5-11(6-4-10)12-8-19-14-16-13(15)17-18(12)14/h3-6,8-9H,7H2,1-2H3,(H2,15,17)
InChIKeyCEFVKXWOAWDRRQ-UHFFFAOYSA-N
XLogP3.24
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-fluoro-4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 82303651
3-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3918771
6-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 95477006
6-(2,5-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 39101233
6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 733193
2-methylpropyl N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate
CID 108727855
3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 82478196
4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-3-ium-2-amine
CID 4745283
4,5-dimethyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole
CID 116887615
3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068410
2,6-bis(4-phenylmethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 44583599
1-ethyl-3-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiourea
CID 108780813

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methylpropyl)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The IUPAC name of 6-[4-(2-methylpropyl)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (CID 95475103) is 6-[4-(2-methylpropyl)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.
What is the SMILES notation for 6-[4-(2-methylpropyl)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The canonical SMILES for 6-[4-(2-methylpropyl)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is CC(C)Cc1ccc(-c2csc3nc(N)nn23)cc1.
What is the InChIKey of 6-[4-(2-methylpropyl)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The InChIKey is CEFVKXWOAWDRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-9(2)7-10-3-5-11(6-4-10)12-8-19-14-16-13(15)17-18(12)14/h3-6,8-9H,7H2,1-2H3,(H2,15,17).
What are the key properties of 6-[4-(2-methylpropyl)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
6-[4-(2-methylpropyl)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine has a molecular weight of 272.38 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methylpropyl)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is sourced from PubChem (CID 95475103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).