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

C19H15N3OS — CID 29278478

IUPAC2-(2-cyanophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1csc(CNC(=O)c2ccccc2-c2ccccc2C#N)n1
InChIInChI=1S/C19H15N3OS/c1-13-12-24-18(22-13)11-21-19(23)17-9-5-4-8-16(17)15-7-3-2-6-14(15)10-20/h2-9,12H,11H2,1H3,(H,21,23)
InChIKeyZCDMKYIODSOHMR-UHFFFAOYSA-N
MW333.42 g/mol
LogP3.92
Rot. Bonds4

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

2-(2-cyanophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 29278478) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
PubChem CID29278478
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name2-(2-cyanophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1csc(CNC(=O)c2ccccc2-c2ccccc2C#N)n1
InChIInChI=1S/C19H15N3OS/c1-13-12-24-18(22-13)11-21-19(23)17-9-5-4-8-16(17)15-7-3-2-6-14(15)10-20/h2-9,12H,11H2,1H3,(H,21,23)
InChIKeyZCDMKYIODSOHMR-UHFFFAOYSA-N
XLogP3.92
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 51128195
N-[(4-chlorophenyl)methyl]-2-(2-cyanophenyl)benzamide
CID 27843819
4-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709490
2-(2-cyanophenyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 55878950
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
CID 131895425
2-(2-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51291453
2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-nitrobenzamide
CID 115936642
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-2-carboxamide
CID 37157221
2-amino-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 54915790
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide
CID 17393796
3-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 110474815
3-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 55491757

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The IUPAC name of 2-(2-cyanophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide (CID 29278478) is 2-(2-cyanophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The canonical SMILES for 2-(2-cyanophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide is Cc1csc(CNC(=O)c2ccccc2-c2ccccc2C#N)n1.
What is the InChIKey of 2-(2-cyanophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The InChIKey is ZCDMKYIODSOHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-13-12-24-18(22-13)11-21-19(23)17-9-5-4-8-16(17)15-7-3-2-6-14(15)10-20/h2-9,12H,11H2,1H3,(H,21,23).
What are the key properties of 2-(2-cyanophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
2-(2-cyanophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide has a molecular weight of 333.42 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 29278478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).