N-(2-oxo-3H-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide

C14H16N2O4S — CID 96570205

IUPACN-(2-oxo-3H-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
SMILESO=C(COC[C@H]1CCCO1)Nc1ccc2[nH]c(=O)sc2c1
InChIInChI=1S/C14H16N2O4S/c17-13(8-19-7-10-2-1-5-20-10)15-9-3-4-11-12(6-9)21-14(18)16-11/h3-4,6,10H,1-2,5,7-8H2,(H,15,17)(H,16,18)/t10-/m1/s1
InChIKeyBKJPOQLSRZLMGQ-SNVBAGLBSA-N
MW308.36 g/mol
LogP1.72
Rot. Bonds5

About N-(2-oxo-3H-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide

N-(2-oxo-3H-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide (PubChem CID 96570205) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-(2-oxo-3H-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-(2-oxo-3H-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
PubChem CID96570205
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC NameN-(2-oxo-3H-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
SMILESO=C(COC[C@H]1CCCO1)Nc1ccc2[nH]c(=O)sc2c1
InChIInChI=1S/C14H16N2O4S/c17-13(8-19-7-10-2-1-5-20-10)15-9-3-4-11-12(6-9)21-14(18)16-11/h3-4,6,10H,1-2,5,7-8H2,(H,15,17)(H,16,18)/t10-/m1/s1
InChIKeyBKJPOQLSRZLMGQ-SNVBAGLBSA-N
XLogP1.72
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-oxo-3H-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 43376615
N-[4-[acetyl(methyl)amino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 86868489
N-(5-methylsulfanyl-3-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 126830880
N-[3-(1-methylsulfanylethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 56785834
2-(oxolan-2-ylmethoxy)-N-(1,2-thiazol-5-yl)acetamide
CID 126829996
N-(3-cyano-5-phenylthiophen-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 95625825
2-ethoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 131944561
methyl 5-[[2-(oxolan-2-ylmethoxy)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 126831946
N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 18069772
N-[2-(4-methylpentan-2-yl)pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide
CID 56789769
N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 95935311
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3H-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide?
The IUPAC name of N-(2-oxo-3H-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide (CID 96570205) is N-(2-oxo-3H-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide.
What is the SMILES notation for N-(2-oxo-3H-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide?
The canonical SMILES for N-(2-oxo-3H-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide is O=C(COC[C@H]1CCCO1)Nc1ccc2[nH]c(=O)sc2c1.
What is the InChIKey of N-(2-oxo-3H-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide?
The InChIKey is BKJPOQLSRZLMGQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16N2O4S/c17-13(8-19-7-10-2-1-5-20-10)15-9-3-4-11-12(6-9)21-14(18)16-11/h3-4,6,10H,1-2,5,7-8H2,(H,15,17)(H,16,18)/t10-/m1/s1.
What are the key properties of N-(2-oxo-3H-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide?
N-(2-oxo-3H-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide has a molecular weight of 308.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3H-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide is sourced from PubChem (CID 96570205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).