6-(2,5-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

C12H12N4S — CID 39101233

IUPAC6-(2,5-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCc1ccc(C)c(-c2csc3nc(N)nn23)c1
InChIInChI=1S/C12H12N4S/c1-7-3-4-8(2)9(5-7)10-6-17-12-14-11(13)15-16(10)12/h3-6H,1-2H3,(H2,13,15)
InChIKeyVSFXZTKZNNBUIE-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.66
Rot. Bonds1

About 6-(2,5-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

6-(2,5-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (PubChem CID 39101233) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 6-(2,5-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.

Molecular Properties

Compound Name6-(2,5-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
PubChem CID39101233
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name6-(2,5-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCc1ccc(C)c(-c2csc3nc(N)nn23)c1
InChIInChI=1S/C12H12N4S/c1-7-3-4-8(2)9(5-7)10-6-17-12-14-11(13)15-16(10)12/h3-6H,1-2H3,(H2,13,15)
InChIKeyVSFXZTKZNNBUIE-UHFFFAOYSA-N
XLogP2.66
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 733193
6-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 95477006
3-(2,4-dimethylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
CID 141198279
N-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-methoxyacetamide
CID 108728228
6-(2,4-dimethylphenyl)-N-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772329
3-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1,1-diethylurea
CID 108728180
N-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]butanamide
CID 108728181
2-chloroethyl N-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamate
CID 108728178
6-(3-fluoro-4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 82303651
6-[4-(2-methylpropyl)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 95475103
N-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108728212
N-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108780619

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The IUPAC name of 6-(2,5-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (CID 39101233) is 6-(2,5-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.
What is the SMILES notation for 6-(2,5-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The canonical SMILES for 6-(2,5-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is Cc1ccc(C)c(-c2csc3nc(N)nn23)c1.
What is the InChIKey of 6-(2,5-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The InChIKey is VSFXZTKZNNBUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-7-3-4-8(2)9(5-7)10-6-17-12-14-11(13)15-16(10)12/h3-6H,1-2H3,(H2,13,15).
What are the key properties of 6-(2,5-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
6-(2,5-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine has a molecular weight of 244.32 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is sourced from PubChem (CID 39101233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).