[4-methyl-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanamine

C8H9N3S2 — CID 165447410

IUPAC[4-methyl-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1-c1nccs1
InChIInChI=1S/C8H9N3S2/c1-5-7(8-10-2-3-12-8)13-6(4-9)11-5/h2-3H,4,9H2,1H3
InChIKeyQFGKTGDCDRVFSH-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.03
Rot. Bonds2

About [4-methyl-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanamine

[4-methyl-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanamine (PubChem CID 165447410) has the molecular formula C8H9N3S2 and a molecular weight of 211.31 g/mol. Its IUPAC name is [4-methyl-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanamine
PubChem CID165447410
Molecular FormulaC8H9N3S2
Molecular Weight211.31 g/mol
Exact Mass211.02
IUPAC Name[4-methyl-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1-c1nccs1
InChIInChI=1S/C8H9N3S2/c1-5-7(8-10-2-3-12-8)13-6(4-9)11-5/h2-3H,4,9H2,1H3
InChIKeyQFGKTGDCDRVFSH-UHFFFAOYSA-N
XLogP2.03
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-methyl-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-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

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-methyl-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanamine (CID 165447410) is [4-methyl-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-methyl-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-methyl-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanamine is Cc1nc(CN)sc1-c1nccs1.
What is the InChIKey of [4-methyl-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is QFGKTGDCDRVFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S2/c1-5-7(8-10-2-3-12-8)13-6(4-9)11-5/h2-3H,4,9H2,1H3.
What are the key properties of [4-methyl-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanamine?
[4-methyl-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 211.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 165447410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).