N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide

C21H15N3OS — CID 31263128

IUPACN-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2csc(-c3ccncc3)n2)cc1)c1ccccc1
InChIInChI=1S/C21H15N3OS/c25-20(16-4-2-1-3-5-16)23-18-8-6-15(7-9-18)19-14-26-21(24-19)17-10-12-22-13-11-17/h1-14H,(H,23,25)
InChIKeyPFQXADSXLVMYTA-UHFFFAOYSA-N
MW357.44 g/mol
LogP5.12
Rot. Bonds4

About N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide

N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 31263128) has the molecular formula C21H15N3OS and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID31263128
Molecular FormulaC21H15N3OS
Molecular Weight357.44 g/mol
Exact Mass357.09
IUPAC NameN-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2csc(-c3ccncc3)n2)cc1)c1ccccc1
InChIInChI=1S/C21H15N3OS/c25-20(16-4-2-1-3-5-16)23-18-8-6-15(7-9-18)19-14-26-21(24-19)17-10-12-22-13-11-17/h1-14H,(H,23,25)
InChIKeyPFQXADSXLVMYTA-UHFFFAOYSA-N
XLogP5.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492822
3,5-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286288
5-bromo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 122286371
N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide
CID 108739638
N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 35619010
2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide
CID 108810602
N-methyl-4-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1483692
2-[4-(pyridine-3-carbonylamino)phenyl]-1,3-thiazole-4-carboxylic acid
CID 39163969
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748438
4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770359
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-(dimethylamino)benzamide
CID 108748167
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748751

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide (CID 31263128) is N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide is O=C(Nc1ccc(-c2csc(-c3ccncc3)n2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is PFQXADSXLVMYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3OS/c25-20(16-4-2-1-3-5-16)23-18-8-6-15(7-9-18)19-14-26-21(24-19)17-10-12-22-13-11-17/h1-14H,(H,23,25).
What are the key properties of N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide?
N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 357.44 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 31263128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).