N-(4-hydroxy-2,4-diphenyl-5H-1,3-thiazol-5-yl)benzamide chloride

C22H18ClN2O2S- — CID 21179266

IUPACN-(4-hydroxy-2,4-diphenyl-5H-1,3-thiazol-5-yl)benzamide chloride
SMILESO=C(NC1SC(c2ccccc2)=NC1(O)c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C22H18N2O2S.ClH/c25-19(16-10-4-1-5-11-16)23-21-22(26,18-14-8-3-9-15-18)24-20(27-21)17-12-6-2-7-13-17;/h1-15,21,26H,(H,23,25);1H/p-1
InChIKeyNRTKRNMVXQXEAF-UHFFFAOYSA-M
MW409.92 g/mol
LogP0.79
Rot. Bonds4

About N-(4-hydroxy-2,4-diphenyl-5H-1,3-thiazol-5-yl)benzamide chloride

N-(4-hydroxy-2,4-diphenyl-5H-1,3-thiazol-5-yl)benzamide chloride (PubChem CID 21179266) has the molecular formula C22H18ClN2O2S- and a molecular weight of 409.92 g/mol. Its IUPAC name is N-(4-hydroxy-2,4-diphenyl-5H-1,3-thiazol-5-yl)benzamide chloride.

Molecular Properties

Compound NameN-(4-hydroxy-2,4-diphenyl-5H-1,3-thiazol-5-yl)benzamide chloride
PubChem CID21179266
Molecular FormulaC22H18ClN2O2S-
Molecular Weight409.92 g/mol
Exact Mass409.08
IUPAC NameN-(4-hydroxy-2,4-diphenyl-5H-1,3-thiazol-5-yl)benzamide chloride
SMILESO=C(NC1SC(c2ccccc2)=NC1(O)c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C22H18N2O2S.ClH/c25-19(16-10-4-1-5-11-16)23-21-22(26,18-14-8-3-9-15-18)24-20(27-21)17-12-6-2-7-13-17;/h1-15,21,26H,(H,23,25);1H/p-1
InChIKeyNRTKRNMVXQXEAF-UHFFFAOYSA-M
XLogP0.79
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[(4S)-5-oxo-2,4-diphenyl-1,3-thiazol-4-yl]ethyl]benzamide
CID 122217746
N-(2-hydroxycyclopropyl)benzamide
CID 175468011
N-(2-benzamidocyclobutyl)benzamide
CID 58037122
N-(5-amino-1,2-dihydropyrimidin-2-yl)benzamide
CID 173153156
N-tribenzamidosilylbenzamide
CID 175170799
benzohydrazide;molybdenum
CID 162076561
N',N'-dibenzamidobenzohydrazide
CID 91211036
N-(2,4-dihydroxythiolan-3-yl)benzamide
CID 68577502
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
N-(2,3-dihydro-1H-inden-2-yl)-4-phenylbenzamide
CID 70291620
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
N-[3-(4-methylphenyl)-2H-1,4-benzothiazin-2-yl]benzamide
CID 44615168

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,4-diphenyl-5H-1,3-thiazol-5-yl)benzamide chloride?
The IUPAC name of N-(4-hydroxy-2,4-diphenyl-5H-1,3-thiazol-5-yl)benzamide chloride (CID 21179266) is N-(4-hydroxy-2,4-diphenyl-5H-1,3-thiazol-5-yl)benzamide chloride.
What is the SMILES notation for N-(4-hydroxy-2,4-diphenyl-5H-1,3-thiazol-5-yl)benzamide chloride?
The canonical SMILES for N-(4-hydroxy-2,4-diphenyl-5H-1,3-thiazol-5-yl)benzamide chloride is O=C(NC1SC(c2ccccc2)=NC1(O)c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of N-(4-hydroxy-2,4-diphenyl-5H-1,3-thiazol-5-yl)benzamide chloride?
The InChIKey is NRTKRNMVXQXEAF-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H18N2O2S.ClH/c25-19(16-10-4-1-5-11-16)23-21-22(26,18-14-8-3-9-15-18)24-20(27-21)17-12-6-2-7-13-17;/h1-15,21,26H,(H,23,25);1H/p-1.
What are the key properties of N-(4-hydroxy-2,4-diphenyl-5H-1,3-thiazol-5-yl)benzamide chloride?
N-(4-hydroxy-2,4-diphenyl-5H-1,3-thiazol-5-yl)benzamide chloride has a molecular weight of 409.92 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,4-diphenyl-5H-1,3-thiazol-5-yl)benzamide chloride is sourced from PubChem (CID 21179266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).