N-(4-acetyl-1,3-thiazol-2-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide

C17H18N2O3S2 — CID 51248248

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
SMILESCC(=O)c1csc(NC(=O)c2ccccc2SCC2CCCO2)n1
InChIInChI=1S/C17H18N2O3S2/c1-11(20)14-10-24-17(18-14)19-16(21)13-6-2-3-7-15(13)23-9-12-5-4-8-22-12/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,18,19,21)
InChIKeyQBOJODXCVWGNRA-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.87
Rot. Bonds6

About N-(4-acetyl-1,3-thiazol-2-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide

N-(4-acetyl-1,3-thiazol-2-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide (PubChem CID 51248248) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
PubChem CID51248248
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
SMILESCC(=O)c1csc(NC(=O)c2ccccc2SCC2CCCO2)n1
InChIInChI=1S/C17H18N2O3S2/c1-11(20)14-10-24-17(18-14)19-16(21)13-6-2-3-7-15(13)23-9-12-5-4-8-22-12/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,18,19,21)
InChIKeyQBOJODXCVWGNRA-UHFFFAOYSA-N
XLogP3.87
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(oxolan-2-ylmethylsulfanyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 75479052
2-[[(2R)-oxolan-2-yl]methylsulfanyl]-N-(1,3-thiazol-2-yl)benzamide
CID 9043774
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 34053859
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042411
N-(6-methyl-2-pyridinyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 42888884
N-(1-methyl-6-oxo-3-pyridinyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 97009801
N-[4-(methylcarbamoylamino)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55524091
2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 24676894
N-[4-(butan-2-ylcarbamoyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 86830268
N-(5-fluoro-2-methylphenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9045083
N-(4-acetamido-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 56580443
N-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042785

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide (CID 51248248) is N-(4-acetyl-1,3-thiazol-2-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide is CC(=O)c1csc(NC(=O)c2ccccc2SCC2CCCO2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The InChIKey is QBOJODXCVWGNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-11(20)14-10-24-17(18-14)19-16(21)13-6-2-3-7-15(13)23-9-12-5-4-8-22-12/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,18,19,21).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide has a molecular weight of 362.48 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 51248248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).