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

C21H15N3OS — CID 108748438

IUPACN-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2csc(-c3ccccn3)n2)c1)c1ccccc1
InChIInChI=1S/C21H15N3OS/c25-20(15-7-2-1-3-8-15)23-17-10-6-9-16(13-17)19-14-26-21(24-19)18-11-4-5-12-22-18/h1-14H,(H,23,25)
InChIKeyZZMJAJRWCFVSPP-UHFFFAOYSA-N
MW357.44 g/mol
LogP5.12
Rot. Bonds4

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

N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 108748438) has the molecular formula C21H15N3OS and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID108748438
Molecular FormulaC21H15N3OS
Molecular Weight357.44 g/mol
Exact Mass357.09
IUPAC NameN-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2csc(-c3ccccn3)n2)c1)c1ccccc1
InChIInChI=1S/C21H15N3OS/c25-20(15-7-2-1-3-8-15)23-17-10-6-9-16(13-17)19-14-26-21(24-19)18-11-4-5-12-22-18/h1-14H,(H,23,25)
InChIKeyZZMJAJRWCFVSPP-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

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Related Compounds

4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770359
4-bromo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748532
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 108748434
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
CID 108748401
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
N-[3-[2-(2,4-diamino-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 22993961
7-chloro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108809764
3-nitro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]-4-pyrrolidin-1-ylbenzamide
CID 108748413
2-(2-methylphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108748467
3-cyano-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286155
4-(2-hydroxypropan-2-yl)-N-(3-pyridin-2-ylphenyl)benzamide
CID 142392143
2-(2-prop-2-enoxyphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108770444

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide (CID 108748438) is N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide is O=C(Nc1cccc(-c2csc(-c3ccccn3)n2)c1)c1ccccc1.
What is the InChIKey of N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is ZZMJAJRWCFVSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3OS/c25-20(15-7-2-1-3-8-15)23-17-10-6-9-16(13-17)19-14-26-21(24-19)18-11-4-5-12-22-18/h1-14H,(H,23,25).
What are the key properties of N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide?
N-[3-(2-pyridin-2-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-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 108748438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).