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

C20H19N3O2S2 — CID 75479052

IUPAC2-(oxolan-2-ylmethylsulfanyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)c1ccccc1SCC1CCCO1
InChIInChI=1S/C20H19N3O2S2/c24-19(23-20-22-17(13-27-20)14-5-3-9-21-11-14)16-7-1-2-8-18(16)26-12-15-6-4-10-25-15/h1-3,5,7-9,11,13,15H,4,6,10,12H2,(H,22,23,24)
InChIKeyWSZLWRIUCKJUHY-UHFFFAOYSA-N
MW397.53 g/mol
LogP4.73
Rot. Bonds6

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

2-(oxolan-2-ylmethylsulfanyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 75479052) has the molecular formula C20H19N3O2S2 and a molecular weight of 397.53 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylsulfanyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylsulfanyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
PubChem CID75479052
Molecular FormulaC20H19N3O2S2
Molecular Weight397.53 g/mol
Exact Mass397.09
IUPAC Name2-(oxolan-2-ylmethylsulfanyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)c1ccccc1SCC1CCCO1
InChIInChI=1S/C20H19N3O2S2/c24-19(23-20-22-17(13-27-20)14-5-3-9-21-11-14)16-7-1-2-8-18(16)26-12-15-6-4-10-25-15/h1-3,5,7-9,11,13,15H,4,6,10,12H2,(H,22,23,24)
InChIKeyWSZLWRIUCKJUHY-UHFFFAOYSA-N
XLogP4.73
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(oxolan-2-ylmethylsulfanyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide with MolForge

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Related Compounds

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-acetyl-1,3-thiazol-2-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 51248248
2-[[(2R)-oxolan-2-yl]methylsulfanyl]-N-(1,3-thiazol-2-yl)benzamide
CID 9043774
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042411
N-(1-methyl-6-oxo-3-pyridinyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 97009801
2-hydroxy-3,4-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 78895805
2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 24676894
2-[[(2R)-oxolan-2-yl]methylsulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 40796962
N-[4-(methylcarbamoylamino)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55524091
N-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042785
N-(4-cyclopentylsulfanylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55599322
N-[4-(butan-2-ylcarbamoyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 86830268

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylsulfanyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-(oxolan-2-ylmethylsulfanyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide (CID 75479052) is 2-(oxolan-2-ylmethylsulfanyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-(oxolan-2-ylmethylsulfanyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-(oxolan-2-ylmethylsulfanyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2cccnc2)cs1)c1ccccc1SCC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethylsulfanyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is WSZLWRIUCKJUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S2/c24-19(23-20-22-17(13-27-20)14-5-3-9-21-11-14)16-7-1-2-8-18(16)26-12-15-6-4-10-25-15/h1-3,5,7-9,11,13,15H,4,6,10,12H2,(H,22,23,24).
What are the key properties of 2-(oxolan-2-ylmethylsulfanyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
2-(oxolan-2-ylmethylsulfanyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 397.53 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylsulfanyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 75479052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).