N-(4-cyanophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

C18H13N3OS2 — CID 24630561

IUPACN-(4-cyanophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(SCc3cscn3)cc2)cc1
InChIInChI=1S/C18H13N3OS2/c19-9-13-1-5-15(6-2-13)21-18(22)14-3-7-17(8-4-14)24-11-16-10-23-12-20-16/h1-8,10,12H,11H2,(H,21,22)
InChIKeyATUYWTPUJWFWSB-UHFFFAOYSA-N
MW351.46 g/mol
LogP4.56
Rot. Bonds5

About N-(4-cyanophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

N-(4-cyanophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (PubChem CID 24630561) has the molecular formula C18H13N3OS2 and a molecular weight of 351.46 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
PubChem CID24630561
Molecular FormulaC18H13N3OS2
Molecular Weight351.46 g/mol
Exact Mass351.05
IUPAC NameN-(4-cyanophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(SCc3cscn3)cc2)cc1
InChIInChI=1S/C18H13N3OS2/c19-9-13-1-5-15(6-2-13)21-18(22)14-3-7-17(8-4-14)24-11-16-10-23-12-20-16/h1-8,10,12H,11H2,(H,21,22)
InChIKeyATUYWTPUJWFWSB-UHFFFAOYSA-N
XLogP4.56
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630642
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630862
4-cyano-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346148
N-(3-chloro-4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630620
N-(5-methyl-1,3-thiazol-2-yl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630692
N-(2-methyl-6-propan-2-ylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630594
N-(4-fluoro-2-methylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630722
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
N-(4-cyanophenyl)-4-hydrazinylbenzamide
CID 55052706
N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 55890816
4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982
N-(4-cyanophenyl)-1,3-benzothiazole-6-carboxamide
CID 2092315

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The IUPAC name of N-(4-cyanophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (CID 24630561) is N-(4-cyanophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-(4-cyanophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is N#Cc1ccc(NC(=O)c2ccc(SCc3cscn3)cc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The InChIKey is ATUYWTPUJWFWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS2/c19-9-13-1-5-15(6-2-13)21-18(22)14-3-7-17(8-4-14)24-11-16-10-23-12-20-16/h1-8,10,12H,11H2,(H,21,22).
What are the key properties of N-(4-cyanophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
N-(4-cyanophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide has a molecular weight of 351.46 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 24630561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).