2,5-dichloro-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide

C22H14Cl2N2OS — CID 4307755

IUPAC2,5-dichloro-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C22H14Cl2N2OS/c23-16-11-12-18(24)17(13-16)21(27)26-22-25-19(14-7-3-1-4-8-14)20(28-22)15-9-5-2-6-10-15/h1-13H,(H,25,26,27)
InChIKeyFCBTYRFTVXYOBU-UHFFFAOYSA-N
MW425.34 g/mol
LogP7.04
Rot. Bonds4

About 2,5-dichloro-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide

2,5-dichloro-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 4307755) has the molecular formula C22H14Cl2N2OS and a molecular weight of 425.34 g/mol. Its IUPAC name is 2,5-dichloro-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide
PubChem CID4307755
Molecular FormulaC22H14Cl2N2OS
Molecular Weight425.34 g/mol
Exact Mass424.02
IUPAC Name2,5-dichloro-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C22H14Cl2N2OS/c23-16-11-12-18(24)17(13-16)21(27)26-22-25-19(14-7-3-1-4-8-14)20(28-22)15-9-5-2-6-10-15/h1-13H,(H,25,26,27)
InChIKeyFCBTYRFTVXYOBU-UHFFFAOYSA-N
XLogP7.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.34
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 2257051
4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2832302
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
2-chloro-4,5-difluoro-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
CID 39189888
N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide
CID 43980747
ethyl 2-[(5-chloro-2-fluorobenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 18288204
2,4-dichloro-N-[4-(4-fluorophenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 126057492
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-chloro-5-nitrobenzamide
CID 3636527
2,4-dichloro-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 5013046
methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
CID 1244319
N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 126057357
1-(4-chlorophenyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide
CID 2468346

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2,5-dichloro-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide (CID 4307755) is 2,5-dichloro-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is FCBTYRFTVXYOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N2OS/c23-16-11-12-18(24)17(13-16)21(27)26-22-25-19(14-7-3-1-4-8-14)20(28-22)15-9-5-2-6-10-15/h1-13H,(H,25,26,27).
What are the key properties of 2,5-dichloro-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide?
2,5-dichloro-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 425.34 g/mol, XLogP of 7.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4307755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).