N-(4-chlorophenyl)-4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamide

C19H15ClN2OS — CID 53037722

IUPACN-(4-chlorophenyl)-4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(-c2csc(C3CC3)n2)cc1
InChIInChI=1S/C19H15ClN2OS/c20-15-7-9-16(10-8-15)21-18(23)13-3-1-12(2-4-13)17-11-24-19(22-17)14-5-6-14/h1-4,7-11,14H,5-6H2,(H,21,23)
InChIKeyFFDNHLSWABZTMO-UHFFFAOYSA-N
MW354.86 g/mol
LogP5.59
Rot. Bonds4

About N-(4-chlorophenyl)-4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamide

N-(4-chlorophenyl)-4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamide (PubChem CID 53037722) has the molecular formula C19H15ClN2OS and a molecular weight of 354.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamide
PubChem CID53037722
Molecular FormulaC19H15ClN2OS
Molecular Weight354.86 g/mol
Exact Mass354.06
IUPAC NameN-(4-chlorophenyl)-4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(-c2csc(C3CC3)n2)cc1
InChIInChI=1S/C19H15ClN2OS/c20-15-7-9-16(10-8-15)21-18(23)13-3-1-12(2-4-13)17-11-24-19(22-17)14-5-6-14/h1-4,7-11,14H,5-6H2,(H,21,23)
InChIKeyFFDNHLSWABZTMO-UHFFFAOYSA-N
XLogP5.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.86
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 35619010
4-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)benzamide
CID 46394880
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
4-[[4-[4-[(4-chlorobenzoyl)amino]phenyl]-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid
CID 1111396
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-(dimethylamino)benzamide
CID 108748167
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55649325
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-4-chlorobenzamide
CID 110351814
4-acetamido-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167057
4-(4-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydron;chloride
CID 71677757
4-(4-chlorophenyl)-2-(1-methylpiperidin-1-ium-4-yl)-1,3-thiazole
CID 7368784
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
4-chloro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40506385

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-(4-chlorophenyl)-4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamide (CID 53037722) is N-(4-chlorophenyl)-4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamide is O=C(Nc1ccc(Cl)cc1)c1ccc(-c2csc(C3CC3)n2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamide?
The InChIKey is FFDNHLSWABZTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2OS/c20-15-7-9-16(10-8-15)21-18(23)13-3-1-12(2-4-13)17-11-24-19(22-17)14-5-6-14/h1-4,7-11,14H,5-6H2,(H,21,23).
What are the key properties of N-(4-chlorophenyl)-4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamide?
N-(4-chlorophenyl)-4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamide has a molecular weight of 354.86 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 53037722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).