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

C27H19N3OS — CID 108770359

IUPAC4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2csc(-c3ccccn3)n2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H19N3OS/c31-26(21-14-12-20(13-15-21)19-7-2-1-3-8-19)29-23-10-6-9-22(17-23)25-18-32-27(30-25)24-11-4-5-16-28-24/h1-18H,(H,29,31)
InChIKeyUKZZXGHJCZHNRK-UHFFFAOYSA-N
MW433.54 g/mol
LogP6.79
Rot. Bonds5

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

4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 108770359) has the molecular formula C27H19N3OS and a molecular weight of 433.54 g/mol. Its IUPAC name is 4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID108770359
Molecular FormulaC27H19N3OS
Molecular Weight433.54 g/mol
Exact Mass433.12
IUPAC Name4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2csc(-c3ccccn3)n2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H19N3OS/c31-26(21-14-12-20(13-15-21)19-7-2-1-3-8-19)29-23-10-6-9-22(17-23)25-18-32-27(30-25)24-11-4-5-16-28-24/h1-18H,(H,29,31)
InChIKeyUKZZXGHJCZHNRK-UHFFFAOYSA-N
XLogP6.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.54
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748438
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
3-nitro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]-4-pyrrolidin-1-ylbenzamide
CID 108748413
N-[3-[2-(2,4-diamino-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 22993961
4-(2-hydroxypropan-2-yl)-N-(3-pyridin-2-ylphenyl)benzamide
CID 142392143
4-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 3443960
2-(2-prop-2-enoxyphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108770444
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
2-(2-methylphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108748467

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide (CID 108770359) is 4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide is O=C(Nc1cccc(-c2csc(-c3ccccn3)n2)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is UKZZXGHJCZHNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3OS/c31-26(21-14-12-20(13-15-21)19-7-2-1-3-8-19)29-23-10-6-9-22(17-23)25-18-32-27(30-25)24-11-4-5-16-28-24/h1-18H,(H,29,31).
What are the key properties of 4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide?
4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 433.54 g/mol, XLogP of 6.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 108770359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).