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

C23H18N2OS2 — CID 43980747

IUPACN-(4,5-diphenyl-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C23H18N2OS2/c1-27-19-15-9-8-14-18(19)22(26)25-23-24-20(16-10-4-2-5-11-16)21(28-23)17-12-6-3-7-13-17/h2-15H,1H3,(H,24,25,26)
InChIKeyVNRFQEGLNRQZHZ-UHFFFAOYSA-N
MW402.54 g/mol
LogP6.45
Rot. Bonds5

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

N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide (PubChem CID 43980747) has the molecular formula C23H18N2OS2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(4,5-diphenyl-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide
PubChem CID43980747
Molecular FormulaC23H18N2OS2
Molecular Weight402.54 g/mol
Exact Mass402.09
IUPAC NameN-(4,5-diphenyl-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C23H18N2OS2/c1-27-19-15-9-8-14-18(19)22(26)25-23-24-20(16-10-4-2-5-11-16)21(28-23)17-12-6-3-7-13-17/h2-15H,1H3,(H,24,25,26)
InChIKeyVNRFQEGLNRQZHZ-UHFFFAOYSA-N
XLogP6.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 126058573
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
2,5-dichloro-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide
CID 4307755
2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 3649410
methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
CID 1244319
2-methylsulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 41154127
N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 126057357
2-[(4,5-diphenyl-1,3-thiazol-2-yl)carbamoyl]-6-nitrobenzoic acid
CID 19133212
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
4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 1207301
4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2832302

Frequently Asked Questions

What is the IUPAC name of N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide (CID 43980747) is N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide?
The InChIKey is VNRFQEGLNRQZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2OS2/c1-27-19-15-9-8-14-18(19)22(26)25-23-24-20(16-10-4-2-5-11-16)21(28-23)17-12-6-3-7-13-17/h2-15H,1H3,(H,24,25,26).
What are the key properties of N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide?
N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide has a molecular weight of 402.54 g/mol, XLogP of 6.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 43980747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).