N-(4-cyano-3-naphthalen-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)benzamide

C28H19N3OS — CID 142094274

IUPACN-(4-cyano-3-naphthalen-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)benzamide
SMILESN#Cc1ccc(N(Cc2cncs2)C(=O)c2ccccc2)cc1-c1cccc2ccccc12
InChIInChI=1S/C28H19N3OS/c29-16-22-13-14-23(15-27(22)26-12-6-10-20-7-4-5-11-25(20)26)31(18-24-17-30-19-33-24)28(32)21-8-2-1-3-9-21/h1-15,17,19H,18H2
InChIKeyWRJSZQUUHKIGDD-UHFFFAOYSA-N
MW445.55 g/mol
LogP6.68
Rot. Bonds5

About N-(4-cyano-3-naphthalen-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)benzamide

N-(4-cyano-3-naphthalen-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)benzamide (PubChem CID 142094274) has the molecular formula C28H19N3OS and a molecular weight of 445.55 g/mol. Its IUPAC name is N-(4-cyano-3-naphthalen-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-cyano-3-naphthalen-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)benzamide
PubChem CID142094274
Molecular FormulaC28H19N3OS
Molecular Weight445.55 g/mol
Exact Mass445.12
IUPAC NameN-(4-cyano-3-naphthalen-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)benzamide
SMILESN#Cc1ccc(N(Cc2cncs2)C(=O)c2ccccc2)cc1-c1cccc2ccccc12
InChIInChI=1S/C28H19N3OS/c29-16-22-13-14-23(15-27(22)26-12-6-10-20-7-4-5-11-25(20)26)31(18-24-17-30-19-33-24)28(32)21-8-2-1-3-9-21/h1-15,17,19H,18H2
InChIKeyWRJSZQUUHKIGDD-UHFFFAOYSA-N
XLogP6.68
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.55
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-6-methyl-5-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
CID 142094021
4-[[4-cyano-3-naphthalen-1-yl-N-(pyridin-3-ylmethyl)anilino]methyl]benzoic acid
CID 142094227
4-[(3-cyanophenyl)methyl-(1,3-thiazol-5-ylmethyl)amino]-2-(2-methylphenyl)benzonitrile
CID 142093955
4-cyano-N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 142094132
6-[5-(4-cyano-3-naphthalen-1-ylphenyl)-3-(1,3-thiazol-5-ylmethyl)pentyl]pyridine-3-carbonitrile
CID 163837403
3-naphthalen-1-ylpyridine-4-carbonitrile
CID 45123369
2-(2,4-dinaphthalen-1-ylbenzo[h]quinolin-6-yl)benzonitrile
CID 70959605
3-cyano-N-ethyl-N-naphthalen-1-ylbenzamide
CID 43823026
2-[2-[5-[4-(2-cyanophenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 122448036
3-N-benzyl-1-N-(2-cyanophenyl)-3-N-ethylbenzene-1,3-dicarboxamide
CID 109054951
2-naphthalen-1-ylthiophene-3-carbonitrile
CID 11770428
6,7-dimethyl-3-naphthalen-1-ylnaphthalene-2-carbonitrile
CID 102235920

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-3-naphthalen-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)benzamide?
The IUPAC name of N-(4-cyano-3-naphthalen-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)benzamide (CID 142094274) is N-(4-cyano-3-naphthalen-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)benzamide.
What is the SMILES notation for N-(4-cyano-3-naphthalen-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)benzamide?
The canonical SMILES for N-(4-cyano-3-naphthalen-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)benzamide is N#Cc1ccc(N(Cc2cncs2)C(=O)c2ccccc2)cc1-c1cccc2ccccc12.
What is the InChIKey of N-(4-cyano-3-naphthalen-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)benzamide?
The InChIKey is WRJSZQUUHKIGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3OS/c29-16-22-13-14-23(15-27(22)26-12-6-10-20-7-4-5-11-25(20)26)31(18-24-17-30-19-33-24)28(32)21-8-2-1-3-9-21/h1-15,17,19H,18H2.
What are the key properties of N-(4-cyano-3-naphthalen-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)benzamide?
N-(4-cyano-3-naphthalen-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)benzamide has a molecular weight of 445.55 g/mol, XLogP of 6.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-3-naphthalen-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)benzamide is sourced from PubChem (CID 142094274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).