2-[[(2R)-oxolan-2-yl]methylsulfanyl]-N-(1,3-thiazol-2-yl)benzamide

C15H16N2O2S2 — CID 9043774

IUPAC2-[[(2R)-oxolan-2-yl]methylsulfanyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccccc1SC[C@H]1CCCO1
InChIInChI=1S/C15H16N2O2S2/c18-14(17-15-16-7-9-20-15)12-5-1-2-6-13(12)21-10-11-4-3-8-19-11/h1-2,5-7,9,11H,3-4,8,10H2,(H,16,17,18)/t11-/m1/s1
InChIKeyWQVRIDQSWBQZMR-LLVKDONJSA-N
MW320.44 g/mol
LogP3.67
Rot. Bonds5

About 2-[[(2R)-oxolan-2-yl]methylsulfanyl]-N-(1,3-thiazol-2-yl)benzamide

2-[[(2R)-oxolan-2-yl]methylsulfanyl]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 9043774) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[[(2R)-oxolan-2-yl]methylsulfanyl]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[[(2R)-oxolan-2-yl]methylsulfanyl]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID9043774
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC Name2-[[(2R)-oxolan-2-yl]methylsulfanyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccccc1SC[C@H]1CCCO1
InChIInChI=1S/C15H16N2O2S2/c18-14(17-15-16-7-9-20-15)12-5-1-2-6-13(12)21-10-11-4-3-8-19-11/h1-2,5-7,9,11H,3-4,8,10H2,(H,16,17,18)/t11-/m1/s1
InChIKeyWQVRIDQSWBQZMR-LLVKDONJSA-N
XLogP3.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2R)-oxolan-2-yl]methylsulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 40796962
N-(4-acetyl-1,3-thiazol-2-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 51248248
2-(oxolan-2-ylmethylsulfanyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 75479052
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042411
N-(6-methyl-2-pyridinyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 42888884
2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 24676894
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
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-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042785
N-(4-cyclopentylsulfanylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55599322
N-(5-fluoro-2-methylphenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9045083

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-oxolan-2-yl]methylsulfanyl]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-[[(2R)-oxolan-2-yl]methylsulfanyl]-N-(1,3-thiazol-2-yl)benzamide (CID 9043774) is 2-[[(2R)-oxolan-2-yl]methylsulfanyl]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-[[(2R)-oxolan-2-yl]methylsulfanyl]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-[[(2R)-oxolan-2-yl]methylsulfanyl]-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1ccccc1SC[C@H]1CCCO1.
What is the InChIKey of 2-[[(2R)-oxolan-2-yl]methylsulfanyl]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is WQVRIDQSWBQZMR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c18-14(17-15-16-7-9-20-15)12-5-1-2-6-13(12)21-10-11-4-3-8-19-11/h1-2,5-7,9,11H,3-4,8,10H2,(H,16,17,18)/t11-/m1/s1.
What are the key properties of 2-[[(2R)-oxolan-2-yl]methylsulfanyl]-N-(1,3-thiazol-2-yl)benzamide?
2-[[(2R)-oxolan-2-yl]methylsulfanyl]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 320.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-oxolan-2-yl]methylsulfanyl]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 9043774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).