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

C12H12N4OS — CID 82484595

IUPAC[2-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine
SMILESCOc1cccc(-c2nc3scc(CN)n3n2)c1
InChIInChI=1S/C12H12N4OS/c1-17-10-4-2-3-8(5-10)11-14-12-16(15-11)9(6-13)7-18-12/h2-5,7H,6,13H2,1H3
InChIKeyMQJCMUVZBARWET-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.93
Rot. Bonds3

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

[2-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine (PubChem CID 82484595) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine
PubChem CID82484595
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name[2-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine
SMILESCOc1cccc(-c2nc3scc(CN)n3n2)c1
InChIInChI=1S/C12H12N4OS/c1-17-10-4-2-3-8(5-10)11-14-12-16(15-11)9(6-13)7-18-12/h2-5,7H,6,13H2,1H3
InChIKeyMQJCMUVZBARWET-UHFFFAOYSA-N
XLogP1.93
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(3-methoxyphenyl)-[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-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 83965261
2-[4,6-diethyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethanamine
CID 79219772
[2-(2,4-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine
CID 82486972
N,N-diethyl-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509499
[4-(3-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
CID 82474357
2-[2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]ethanamine
CID 28808717
[2-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethylamino]-2-oxoethyl] acetate
CID 7531111
N,N-diethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42866037
N'-(3-fluorophenyl)-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 18564712
[5-(3-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82472128
3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 82479018
6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-amine
CID 82479019

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine?
The IUPAC name of [2-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine (CID 82484595) is [2-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine.
What is the SMILES notation for [2-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine?
The canonical SMILES for [2-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine is COc1cccc(-c2nc3scc(CN)n3n2)c1.
What is the InChIKey of [2-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine?
The InChIKey is MQJCMUVZBARWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-17-10-4-2-3-8(5-10)11-14-12-16(15-11)9(6-13)7-18-12/h2-5,7H,6,13H2,1H3.
What are the key properties of [2-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine?
[2-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine has a molecular weight of 260.32 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine is sourced from PubChem (CID 82484595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).