N-(1,3-benzothiazol-6-yl)oxolane-2-carboxamide

C12H12N2O2S — CID 24865983

IUPACN-(1,3-benzothiazol-6-yl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc2ncsc2c1)C1CCCO1
InChIInChI=1S/C12H12N2O2S/c15-12(10-2-1-5-16-10)14-8-3-4-9-11(6-8)17-7-13-9/h3-4,6-7,10H,1-2,5H2,(H,14,15)
InChIKeyZPEZDPNOYZDXJW-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.41
Rot. Bonds2

About N-(1,3-benzothiazol-6-yl)oxolane-2-carboxamide

N-(1,3-benzothiazol-6-yl)oxolane-2-carboxamide (PubChem CID 24865983) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)oxolane-2-carboxamide
PubChem CID24865983
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC NameN-(1,3-benzothiazol-6-yl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc2ncsc2c1)C1CCCO1
InChIInChI=1S/C12H12N2O2S/c15-12(10-2-1-5-16-10)14-8-3-4-9-11(6-8)17-7-13-9/h3-4,6-7,10H,1-2,5H2,(H,14,15)
InChIKeyZPEZDPNOYZDXJW-UHFFFAOYSA-N
XLogP2.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-(1,3-benzothiazol-5-yl)morpholine-2-carboxamide
CID 119735663
2-hydroxy-4-(oxolane-2-carbonylamino)benzoic acid
CID 16775215
(2R)-N-(2-chloro-4-pyridinyl)oxolane-2-carboxamide
CID 129370669
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide
CID 757856
N-(1,3-benzothiazol-6-yl)-4-(methylamino)oxolane-3-carboxamide
CID 107805191
(2S)-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 7268826
5-[[(2S)-oxolane-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 104855894
(2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxolane-2-carboxamide
CID 9451672
N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986386
(2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide
CID 7923565

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)oxolane-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)oxolane-2-carboxamide (CID 24865983) is N-(1,3-benzothiazol-6-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)oxolane-2-carboxamide is O=C(Nc1ccc2ncsc2c1)C1CCCO1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)oxolane-2-carboxamide?
The InChIKey is ZPEZDPNOYZDXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-12(10-2-1-5-16-10)14-8-3-4-9-11(6-8)17-7-13-9/h3-4,6-7,10H,1-2,5H2,(H,14,15).
What are the key properties of N-(1,3-benzothiazol-6-yl)oxolane-2-carboxamide?
N-(1,3-benzothiazol-6-yl)oxolane-2-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)oxolane-2-carboxamide is sourced from PubChem (CID 24865983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).