4-(3-phenylphenyl)-1,3-thiazole-5-carboxamide

C16H12N2OS — CID 16658122

IUPAC4-(3-phenylphenyl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1scnc1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H12N2OS/c17-16(19)15-14(18-10-20-15)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-10H,(H2,17,19)
InChIKeyZUBURHAQYILJPT-UHFFFAOYSA-N
MW280.35 g/mol
LogP3.58
Rot. Bonds3

About 4-(3-phenylphenyl)-1,3-thiazole-5-carboxamide

4-(3-phenylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 16658122) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-(3-phenylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-(3-phenylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID16658122
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC Name4-(3-phenylphenyl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1scnc1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H12N2OS/c17-16(19)15-14(18-10-20-15)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-10H,(H2,17,19)
InChIKeyZUBURHAQYILJPT-UHFFFAOYSA-N
XLogP3.58
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-(3-phenylphenyl)-1,3-thiazole-5-carboxamide (CID 16658122) is 4-(3-phenylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-(3-phenylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-(3-phenylphenyl)-1,3-thiazole-5-carboxamide is NC(=O)c1scnc1-c1cccc(-c2ccccc2)c1.
What is the InChIKey of 4-(3-phenylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is ZUBURHAQYILJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS/c17-16(19)15-14(18-10-20-15)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-10H,(H2,17,19).
What are the key properties of 4-(3-phenylphenyl)-1,3-thiazole-5-carboxamide?
4-(3-phenylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16658122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).