2-amino-5-[(2-methylphenyl)methyl]-1,3-thiazol-4-one

C11H12N2OS — CID 2841517

IUPAC2-amino-5-[(2-methylphenyl)methyl]-1,3-thiazol-4-one
SMILESCc1ccccc1CC1SC(N)=NC1=O
InChIInChI=1S/C11H12N2OS/c1-7-4-2-3-5-8(7)6-9-10(14)13-11(12)15-9/h2-5,9H,6H2,1H3,(H2,12,13,14)
InChIKeyMVYNQLNXBSDENN-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.49
Rot. Bonds2

About 2-amino-5-[(2-methylphenyl)methyl]-1,3-thiazol-4-one

2-amino-5-[(2-methylphenyl)methyl]-1,3-thiazol-4-one (PubChem CID 2841517) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-amino-5-[(2-methylphenyl)methyl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-amino-5-[(2-methylphenyl)methyl]-1,3-thiazol-4-one
PubChem CID2841517
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-amino-5-[(2-methylphenyl)methyl]-1,3-thiazol-4-one
SMILESCc1ccccc1CC1SC(N)=NC1=O
InChIInChI=1S/C11H12N2OS/c1-7-4-2-3-5-8(7)6-9-10(14)13-11(12)15-9/h2-5,9H,6H2,1H3,(H2,12,13,14)
InChIKeyMVYNQLNXBSDENN-UHFFFAOYSA-N
XLogP1.49
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-5-[(2-methylphenyl)methyl]-1,3-thiazol-4-one 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 2-amino-5-[(2-methylphenyl)methyl]-1,3-thiazol-4-one?
The IUPAC name of 2-amino-5-[(2-methylphenyl)methyl]-1,3-thiazol-4-one (CID 2841517) is 2-amino-5-[(2-methylphenyl)methyl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-amino-5-[(2-methylphenyl)methyl]-1,3-thiazol-4-one?
The canonical SMILES for 2-amino-5-[(2-methylphenyl)methyl]-1,3-thiazol-4-one is Cc1ccccc1CC1SC(N)=NC1=O.
What is the InChIKey of 2-amino-5-[(2-methylphenyl)methyl]-1,3-thiazol-4-one?
The InChIKey is MVYNQLNXBSDENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-7-4-2-3-5-8(7)6-9-10(14)13-11(12)15-9/h2-5,9H,6H2,1H3,(H2,12,13,14).
What are the key properties of 2-amino-5-[(2-methylphenyl)methyl]-1,3-thiazol-4-one?
2-amino-5-[(2-methylphenyl)methyl]-1,3-thiazol-4-one has a molecular weight of 220.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2-methylphenyl)methyl]-1,3-thiazol-4-one is sourced from PubChem (CID 2841517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).