2-amino-4-phenyl-1,3-thiazole-5-carboxamide

C10H9N3OS — CID 16729436

IUPAC2-amino-4-phenyl-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(N)nc1-c1ccccc1
InChIInChI=1S/C10H9N3OS/c11-9(14)8-7(13-10(12)15-8)6-4-2-1-3-5-6/h1-5H,(H2,11,14)(H2,12,13)
InChIKeyCCEJBFWILLLYKV-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.49
Rot. Bonds2

About 2-amino-4-phenyl-1,3-thiazole-5-carboxamide

2-amino-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 16729436) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-amino-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID16729436
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name2-amino-4-phenyl-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(N)nc1-c1ccccc1
InChIInChI=1S/C10H9N3OS/c11-9(14)8-7(13-10(12)15-8)6-4-2-1-3-5-6/h1-5H,(H2,11,14)(H2,12,13)
InChIKeyCCEJBFWILLLYKV-UHFFFAOYSA-N
XLogP1.49
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-phenyl-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-amino-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-phenyl-1,3-thiazole-5-carboxamide (CID 16729436) is 2-amino-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-phenyl-1,3-thiazole-5-carboxamide is NC(=O)c1sc(N)nc1-c1ccccc1.
What is the InChIKey of 2-amino-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is CCEJBFWILLLYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c11-9(14)8-7(13-10(12)15-8)6-4-2-1-3-5-6/h1-5H,(H2,11,14)(H2,12,13).
What are the key properties of 2-amino-4-phenyl-1,3-thiazole-5-carboxamide?
2-amino-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 219.27 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16729436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).