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

C23H15N3OS — CID 122286155

IUPAC3-cyano-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cccc(-c3csc(-c4ccccc4)n3)c2)c1
InChIInChI=1S/C23H15N3OS/c24-14-16-6-4-10-19(12-16)22(27)25-20-11-5-9-18(13-20)21-15-28-23(26-21)17-7-2-1-3-8-17/h1-13,15H,(H,25,27)
InChIKeyAAYNTWUBCKDNEV-UHFFFAOYSA-N
MW381.46 g/mol
LogP5.60
Rot. Bonds4

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

3-cyano-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 122286155) has the molecular formula C23H15N3OS and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-cyano-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID122286155
Molecular FormulaC23H15N3OS
Molecular Weight381.46 g/mol
Exact Mass381.09
IUPAC Name3-cyano-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cccc(-c3csc(-c4ccccc4)n3)c2)c1
InChIInChI=1S/C23H15N3OS/c24-14-16-6-4-10-19(12-16)22(27)25-20-11-5-9-18(13-20)21-15-28-23(26-21)17-7-2-1-3-8-17/h1-13,15H,(H,25,27)
InChIKeyAAYNTWUBCKDNEV-UHFFFAOYSA-N
XLogP5.60
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.46
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-cyanobenzamide
CID 108748379
3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 7948158
3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile
CID 55219786
3-cyano-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 34072489
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748438
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770359
3-cyano-N-(5-phenyl-3-pyridinyl)benzamide
CID 110713713
N-[3-[2-(2,4-diamino-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 22993961
3-cyano-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108747975
3-cyano-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 121036202
2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 23796735

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 3-cyano-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide (CID 122286155) is 3-cyano-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 3-cyano-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide is N#Cc1cccc(C(=O)Nc2cccc(-c3csc(-c4ccccc4)n3)c2)c1.
What is the InChIKey of 3-cyano-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is AAYNTWUBCKDNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3OS/c24-14-16-6-4-10-19(12-16)22(27)25-20-11-5-9-18(13-20)21-15-28-23(26-21)17-7-2-1-3-8-17/h1-13,15H,(H,25,27).
What are the key properties of 3-cyano-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide?
3-cyano-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 381.46 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 122286155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).