N-(2-phenacylsulfanyl-4-phenyl-1,3-thiazol-5-yl)benzamide

C24H18N2O2S2 — CID 163347744

IUPACN-(2-phenacylsulfanyl-4-phenyl-1,3-thiazol-5-yl)benzamide
SMILESO=C(CSc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1)c1ccccc1
InChIInChI=1S/C24H18N2O2S2/c27-20(17-10-4-1-5-11-17)16-29-24-25-21(18-12-6-2-7-13-18)23(30-24)26-22(28)19-14-8-3-9-15-19/h1-15H,16H2,(H,26,28)
InChIKeyKBDZWNPXVHWMSC-UHFFFAOYSA-N
MW430.55 g/mol
LogP6.04
Rot. Bonds7

About N-(2-phenacylsulfanyl-4-phenyl-1,3-thiazol-5-yl)benzamide

N-(2-phenacylsulfanyl-4-phenyl-1,3-thiazol-5-yl)benzamide (PubChem CID 163347744) has the molecular formula C24H18N2O2S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-(2-phenacylsulfanyl-4-phenyl-1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2-phenacylsulfanyl-4-phenyl-1,3-thiazol-5-yl)benzamide
PubChem CID163347744
Molecular FormulaC24H18N2O2S2
Molecular Weight430.55 g/mol
Exact Mass430.08
IUPAC NameN-(2-phenacylsulfanyl-4-phenyl-1,3-thiazol-5-yl)benzamide
SMILESO=C(CSc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1)c1ccccc1
InChIInChI=1S/C24H18N2O2S2/c27-20(17-10-4-1-5-11-17)16-29-24-25-21(18-12-6-2-7-13-18)23(30-24)26-22(28)19-14-8-3-9-15-19/h1-15H,16H2,(H,26,28)
InChIKeyKBDZWNPXVHWMSC-UHFFFAOYSA-N
XLogP6.04
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054
N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 4276006
N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide
CID 25283056
N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide
CID 25283053
N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]pentanamide
CID 25283011
4-methyl-N-[2-[[5-[(4-methylbenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 45155798
N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide
CID 46300012
N-[2-[(2-phenoxyacetyl)amino]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 46300029
2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetic acid
CID 54440885
N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)thiophene-2-carboxamide
CID 25282899
N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)furan-2-carboxamide
CID 25282897
2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 54224209

Frequently Asked Questions

What is the IUPAC name of N-(2-phenacylsulfanyl-4-phenyl-1,3-thiazol-5-yl)benzamide?
The IUPAC name of N-(2-phenacylsulfanyl-4-phenyl-1,3-thiazol-5-yl)benzamide (CID 163347744) is N-(2-phenacylsulfanyl-4-phenyl-1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for N-(2-phenacylsulfanyl-4-phenyl-1,3-thiazol-5-yl)benzamide?
The canonical SMILES for N-(2-phenacylsulfanyl-4-phenyl-1,3-thiazol-5-yl)benzamide is O=C(CSc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1)c1ccccc1.
What is the InChIKey of N-(2-phenacylsulfanyl-4-phenyl-1,3-thiazol-5-yl)benzamide?
The InChIKey is KBDZWNPXVHWMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2S2/c27-20(17-10-4-1-5-11-17)16-29-24-25-21(18-12-6-2-7-13-18)23(30-24)26-22(28)19-14-8-3-9-15-19/h1-15H,16H2,(H,26,28).
What are the key properties of N-(2-phenacylsulfanyl-4-phenyl-1,3-thiazol-5-yl)benzamide?
N-(2-phenacylsulfanyl-4-phenyl-1,3-thiazol-5-yl)benzamide has a molecular weight of 430.55 g/mol, XLogP of 6.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenacylsulfanyl-4-phenyl-1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 163347744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).