1-(4-chlorophenyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide

C26H21ClN2OS — CID 2468346

IUPAC1-(4-chlorophenyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C26H21ClN2OS/c27-21-14-12-20(13-15-21)26(16-7-17-26)24(30)29-25-28-22(18-8-3-1-4-9-18)23(31-25)19-10-5-2-6-11-19/h1-6,8-15H,7,16-17H2,(H,28,29,30)
InChIKeyZBBBIMNOKTXIOR-UHFFFAOYSA-N
MW444.99 g/mol
LogP7.19
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide

1-(4-chlorophenyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide (PubChem CID 2468346) has the molecular formula C26H21ClN2OS and a molecular weight of 444.99 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide
PubChem CID2468346
Molecular FormulaC26H21ClN2OS
Molecular Weight444.99 g/mol
Exact Mass444.11
IUPAC Name1-(4-chlorophenyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C26H21ClN2OS/c27-21-14-12-20(13-15-21)26(16-7-17-26)24(30)29-25-28-22(18-8-3-1-4-9-18)23(31-25)19-10-5-2-6-11-19/h1-6,8-15H,7,16-17H2,(H,28,29,30)
InChIKeyZBBBIMNOKTXIOR-UHFFFAOYSA-N
XLogP7.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.99
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 55520947
4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2832302
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
2,5-dichloro-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide
CID 4307755
N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 2461024
(4R)-N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide
CID 126212541
N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 2427902
1-(4-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
CID 2521715
methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
CID 1244319
N-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 2257051
N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide
CID 4099246
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide (CID 2468346) is 1-(4-chlorophenyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide is O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide?
The InChIKey is ZBBBIMNOKTXIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2OS/c27-21-14-12-20(13-15-21)26(16-7-17-26)24(30)29-25-28-22(18-8-3-1-4-9-18)23(31-25)19-10-5-2-6-11-19/h1-6,8-15H,7,16-17H2,(H,28,29,30).
What are the key properties of 1-(4-chlorophenyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide?
1-(4-chlorophenyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide has a molecular weight of 444.99 g/mol, XLogP of 7.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 2468346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).