5-[(2-methylphenyl)methyl]-1,2-thiazol-4-amine

C11H12N2S — CID 112709064

IUPAC5-[(2-methylphenyl)methyl]-1,2-thiazol-4-amine
SMILESCc1ccccc1Cc1sncc1N
InChIInChI=1S/C11H12N2S/c1-8-4-2-3-5-9(8)6-11-10(12)7-13-14-11/h2-5,7H,6,12H2,1H3
InChIKeyCPBBCCBKDRQUPG-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.62
Rot. Bonds2

About 5-[(2-methylphenyl)methyl]-1,2-thiazol-4-amine

5-[(2-methylphenyl)methyl]-1,2-thiazol-4-amine (PubChem CID 112709064) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 5-[(2-methylphenyl)methyl]-1,2-thiazol-4-amine.

Molecular Properties

Compound Name5-[(2-methylphenyl)methyl]-1,2-thiazol-4-amine
PubChem CID112709064
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name5-[(2-methylphenyl)methyl]-1,2-thiazol-4-amine
SMILESCc1ccccc1Cc1sncc1N
InChIInChI=1S/C11H12N2S/c1-8-4-2-3-5-9(8)6-11-10(12)7-13-14-11/h2-5,7H,6,12H2,1H3
InChIKeyCPBBCCBKDRQUPG-UHFFFAOYSA-N
XLogP2.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(2-methylphenyl)methyl]-1,2-thiazol-4-amine 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 5-[(2-methylphenyl)methyl]-1,2-thiazol-4-amine?
The IUPAC name of 5-[(2-methylphenyl)methyl]-1,2-thiazol-4-amine (CID 112709064) is 5-[(2-methylphenyl)methyl]-1,2-thiazol-4-amine.
What is the SMILES notation for 5-[(2-methylphenyl)methyl]-1,2-thiazol-4-amine?
The canonical SMILES for 5-[(2-methylphenyl)methyl]-1,2-thiazol-4-amine is Cc1ccccc1Cc1sncc1N.
What is the InChIKey of 5-[(2-methylphenyl)methyl]-1,2-thiazol-4-amine?
The InChIKey is CPBBCCBKDRQUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-8-4-2-3-5-9(8)6-11-10(12)7-13-14-11/h2-5,7H,6,12H2,1H3.
What are the key properties of 5-[(2-methylphenyl)methyl]-1,2-thiazol-4-amine?
5-[(2-methylphenyl)methyl]-1,2-thiazol-4-amine has a molecular weight of 204.30 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenyl)methyl]-1,2-thiazol-4-amine is sourced from PubChem (CID 112709064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).