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

C10H7ClN4S — CID 82481023

IUPAC2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine
SMILESNc1csc2nc(-c3cccc(Cl)c3)nn12
InChIInChI=1S/C10H7ClN4S/c11-7-3-1-2-6(4-7)9-13-10-15(14-9)8(12)5-16-10/h1-5H,12H2
InChIKeyFJVUBFVFNVNUSN-UHFFFAOYSA-N
MW250.71 g/mol
LogP2.69
Rot. Bonds1

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

2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine (PubChem CID 82481023) has the molecular formula C10H7ClN4S and a molecular weight of 250.71 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine
PubChem CID82481023
Molecular FormulaC10H7ClN4S
Molecular Weight250.71 g/mol
Exact Mass250.01
IUPAC Name2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine
SMILESNc1csc2nc(-c3cccc(Cl)c3)nn12
InChIInChI=1S/C10H7ClN4S/c11-7-3-1-2-6(4-7)9-13-10-15(14-9)8(12)5-16-10/h1-5H,12H2
InChIKeyFJVUBFVFNVNUSN-UHFFFAOYSA-N
XLogP2.69
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dihydro-2H-chromen-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine
CID 96668443
[2-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine
CID 82484595
2-(3-chlorophenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3721538
2,5-bis(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16641334
2-(3-chlorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565629
5-chloro-3-(3-chlorophenyl)-1,2,4-thiadiazole
CID 46318469
5-(3-chlorophenyl)-2-methyl-1,2,4-triazole-3-carboxylic acid
CID 83897712
(5E)-2-(3-chlorophenyl)-5-[(3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2142893
2-(3-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5113762
6-(3-chlorophenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole
CID 113225131
2-(3-chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
CID 82565734
(5Z)-2-(3-chlorophenyl)-5-(2H-chromen-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6518718

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine?
The IUPAC name of 2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine (CID 82481023) is 2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine?
The canonical SMILES for 2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine is Nc1csc2nc(-c3cccc(Cl)c3)nn12.
What is the InChIKey of 2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine?
The InChIKey is FJVUBFVFNVNUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4S/c11-7-3-1-2-6(4-7)9-13-10-15(14-9)8(12)5-16-10/h1-5H,12H2.
What are the key properties of 2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine?
2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine has a molecular weight of 250.71 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine is sourced from PubChem (CID 82481023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).