2-(2-amino-4-methylphenyl)-1,3-thiazole-5-carboxamide

C11H11N3OS — CID 118091306

IUPAC2-(2-amino-4-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2ncc(C(N)=O)s2)c(N)c1
InChIInChI=1S/C11H11N3OS/c1-6-2-3-7(8(12)4-6)11-14-5-9(16-11)10(13)15/h2-5H,12H2,1H3,(H2,13,15)
InChIKeyIKLUHRKIXGOCFV-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.80
Rot. Bonds2

About 2-(2-amino-4-methylphenyl)-1,3-thiazole-5-carboxamide

2-(2-amino-4-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 118091306) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-(2-amino-4-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-amino-4-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID118091306
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name2-(2-amino-4-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2ncc(C(N)=O)s2)c(N)c1
InChIInChI=1S/C11H11N3OS/c1-6-2-3-7(8(12)4-6)11-14-5-9(16-11)10(13)15/h2-5H,12H2,1H3,(H2,13,15)
InChIKeyIKLUHRKIXGOCFV-UHFFFAOYSA-N
XLogP1.80
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(2-amino-4-methylphenyl)-1,3-thiazole-5-carboxamide 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-(2-amino-4-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-amino-4-methylphenyl)-1,3-thiazole-5-carboxamide (CID 118091306) is 2-(2-amino-4-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-amino-4-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-amino-4-methylphenyl)-1,3-thiazole-5-carboxamide is Cc1ccc(-c2ncc(C(N)=O)s2)c(N)c1.
What is the InChIKey of 2-(2-amino-4-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is IKLUHRKIXGOCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-6-2-3-7(8(12)4-6)11-14-5-9(16-11)10(13)15/h2-5H,12H2,1H3,(H2,13,15).
What are the key properties of 2-(2-amino-4-methylphenyl)-1,3-thiazole-5-carboxamide?
2-(2-amino-4-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 233.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118091306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).