4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C22H17N3OS — CID 4646220

IUPAC4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C22H17N3OS/c26-21(25-22-24-20(15-27-22)19-8-4-5-13-23-19)18-11-9-17(10-12-18)14-16-6-2-1-3-7-16/h1-13,15H,14H2,(H,24,25,26)
InChIKeyJPWVSQFMKSCTBI-UHFFFAOYSA-N
MW371.47 g/mol
LogP5.05
Rot. Bonds5

About 4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 4646220) has the molecular formula C22H17N3OS and a molecular weight of 371.47 g/mol. Its IUPAC name is 4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID4646220
Molecular FormulaC22H17N3OS
Molecular Weight371.47 g/mol
Exact Mass371.11
IUPAC Name4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C22H17N3OS/c26-21(25-22-24-20(15-27-22)19-8-4-5-13-23-19)18-11-9-17(10-12-18)14-16-6-2-1-3-7-16/h1-13,15H,14H2,(H,24,25,26)
InChIKeyJPWVSQFMKSCTBI-UHFFFAOYSA-N
XLogP5.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.47
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
4-[benzyl(ethyl)sulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4155724
4-[(4-methoxyphenyl)methylsulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 160741102
4-(1,3-dioxoisoindol-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 108766703
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 16799686
4-methyl-2-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 41164239
N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]benzamide
CID 58442475
2-methylpropyl 2-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]acetate
CID 176676284
2,6-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 73348030
3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4158043
1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 176859767
4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid
CID 704429

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 4646220) is 4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is JPWVSQFMKSCTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3OS/c26-21(25-22-24-20(15-27-22)19-8-4-5-13-23-19)18-11-9-17(10-12-18)14-16-6-2-1-3-7-16/h1-13,15H,14H2,(H,24,25,26).
What are the key properties of 4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 371.47 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4646220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).