[2-(2,4-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine

C11H8F2N4S — CID 82486972

IUPAC[2-(2,4-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine
SMILESNCc1csc2nc(-c3ccc(F)cc3F)nn12
InChIInChI=1S/C11H8F2N4S/c12-6-1-2-8(9(13)3-6)10-15-11-17(16-10)7(4-14)5-18-11/h1-3,5H,4,14H2
InChIKeyCSRHZGDOARLATJ-UHFFFAOYSA-N
MW266.28 g/mol
LogP2.19
Rot. Bonds2

About [2-(2,4-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine

[2-(2,4-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine (PubChem CID 82486972) has the molecular formula C11H8F2N4S and a molecular weight of 266.28 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine
PubChem CID82486972
Molecular FormulaC11H8F2N4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Name[2-(2,4-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine
SMILESNCc1csc2nc(-c3ccc(F)cc3F)nn12
InChIInChI=1S/C11H8F2N4S/c12-6-1-2-8(9(13)3-6)10-15-11-17(16-10)7(4-14)5-18-11/h1-3,5H,4,14H2
InChIKeyCSRHZGDOARLATJ-UHFFFAOYSA-N
XLogP2.19
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2,4-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine 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-(2,4,5-trimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine
CID 96668676
(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine
CID 82476476
2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]acetic acid
CID 98020595
3-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]propan-1-amine
CID 116888275
N'-(2,4-difluorophenyl)-N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 18564699
methyl N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate
CID 7531042
(2-benzyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine
CID 82478597
2-(2,4-difluorophenyl)-1,3-thiazole-4-carbohydrazide
CID 2744035
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-methoxyacetamide
CID 7531010
6-(2,4-difluorophenyl)-N-(2,6-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazol-5-amine
CID 70832396
3,4-difluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 7216139
2-(2,4-difluorophenyl)-1,3-thiazole-4-carboxylic acid;ethyl 2-(2,4-difluorophenyl)-1,3-thiazole-4-carboxylate
CID 160576050

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine?
The IUPAC name of [2-(2,4-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine (CID 82486972) is [2-(2,4-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine.
What is the SMILES notation for [2-(2,4-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine?
The canonical SMILES for [2-(2,4-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine is NCc1csc2nc(-c3ccc(F)cc3F)nn12.
What is the InChIKey of [2-(2,4-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine?
The InChIKey is CSRHZGDOARLATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4S/c12-6-1-2-8(9(13)3-6)10-15-11-17(16-10)7(4-14)5-18-11/h1-3,5H,4,14H2.
What are the key properties of [2-(2,4-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine?
[2-(2,4-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine has a molecular weight of 266.28 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine is sourced from PubChem (CID 82486972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).