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

C18H13N3OS — CID 34072489

IUPAC3-cyano-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESN#Cc1cccc(C(=O)NCc2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H13N3OS/c19-10-13-5-4-8-15(9-13)17(22)20-11-16-12-23-18(21-16)14-6-2-1-3-7-14/h1-9,12H,11H2,(H,20,22)
InChIKeyDISYKPOBOVUUIA-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.61
Rot. Bonds4

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

3-cyano-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 34072489) has the molecular formula C18H13N3OS and a molecular weight of 319.39 g/mol. Its IUPAC name is 3-cyano-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID34072489
Molecular FormulaC18H13N3OS
Molecular Weight319.39 g/mol
Exact Mass319.08
IUPAC Name3-cyano-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESN#Cc1cccc(C(=O)NCc2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H13N3OS/c19-10-13-5-4-8-15(9-13)17(22)20-11-16-12-23-18(21-16)14-6-2-1-3-7-14/h1-9,12H,11H2,(H,20,22)
InChIKeyDISYKPOBOVUUIA-UHFFFAOYSA-N
XLogP3.61
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728060
3-nitro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 17163934
3-cyano-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286155
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 17164666
2-[[(3-cyanobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380263
5-bromo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 24632147
3-cyano-N-(pyridazin-3-ylmethyl)benzamide
CID 106832275
1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 35534129
4-ethoxy-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 86915402
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 2997523
3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile
CID 55219786
3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 7948158

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 3-cyano-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide (CID 34072489) is 3-cyano-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-cyano-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-cyano-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide is N#Cc1cccc(C(=O)NCc2csc(-c3ccccc3)n2)c1.
What is the InChIKey of 3-cyano-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is DISYKPOBOVUUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS/c19-10-13-5-4-8-15(9-13)17(22)20-11-16-12-23-18(21-16)14-6-2-1-3-7-14/h1-9,12H,11H2,(H,20,22).
What are the key properties of 3-cyano-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide?
3-cyano-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 319.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 34072489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).