5-anilino-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

C15H12N4OS — CID 174704062

IUPAC5-anilino-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2ccncc2)sc1Nc1ccccc1
InChIInChI=1S/C15H12N4OS/c16-13(20)12-15(18-11-4-2-1-3-5-11)21-14(19-12)10-6-8-17-9-7-10/h1-9,18H,(H2,16,20)
InChIKeyBYOZTGWNMRRAOA-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.05
Rot. Bonds4

About 5-anilino-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

5-anilino-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 174704062) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 5-anilino-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-anilino-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID174704062
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name5-anilino-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2ccncc2)sc1Nc1ccccc1
InChIInChI=1S/C15H12N4OS/c16-13(20)12-15(18-11-4-2-1-3-5-11)21-14(19-12)10-6-8-17-9-7-10/h1-9,18H,(H2,16,20)
InChIKeyBYOZTGWNMRRAOA-UHFFFAOYSA-N
XLogP3.05
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-anilino-2-pyridin-4-yl-1,3-thiazole-4-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 5-anilino-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-anilino-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 174704062) is 5-anilino-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-anilino-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-anilino-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is NC(=O)c1nc(-c2ccncc2)sc1Nc1ccccc1.
What is the InChIKey of 5-anilino-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is BYOZTGWNMRRAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c16-13(20)12-15(18-11-4-2-1-3-5-11)21-14(19-12)10-6-8-17-9-7-10/h1-9,18H,(H2,16,20).
What are the key properties of 5-anilino-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
5-anilino-2-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 296.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 174704062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).