(2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide

C15H14N2O4S — CID 41364782

IUPAC(2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)[C@@H]1CCCO1
InChIInChI=1S/C15H14N2O4S/c18-14(12-2-1-5-19-12)17-15-16-10(7-22-15)9-3-4-11-13(6-9)21-8-20-11/h3-4,6-7,12H,1-2,5,8H2,(H,16,17,18)/t12-/m0/s1
InChIKeyJHHUKTJXIUGFSP-LBPRGKRZSA-N
MW318.35 g/mol
LogP2.66
Rot. Bonds3

About (2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide

(2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide (PubChem CID 41364782) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is (2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
PubChem CID41364782
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name(2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)[C@@H]1CCCO1
InChIInChI=1S/C15H14N2O4S/c18-14(12-2-1-5-19-12)17-15-16-10(7-22-15)9-3-4-11-13(6-9)21-8-20-11/h3-4,6-7,12H,1-2,5,8H2,(H,16,17,18)/t12-/m0/s1
InChIKeyJHHUKTJXIUGFSP-LBPRGKRZSA-N
XLogP2.66
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 51189301
(2R)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 2576249
(2R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 868890
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 5079800
(2S,5R)-5-(aminomethyl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120783938
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 2329444
(2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27376221
(2R)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27376218
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 24569739
N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 3601096
4-(1,3-benzodioxol-5-yl)-N-cyclopentyl-1,3-thiazol-2-amine
CID 8961741
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide
CID 16833591

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide (CID 41364782) is (2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide is O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The InChIKey is JHHUKTJXIUGFSP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H14N2O4S/c18-14(12-2-1-5-19-12)17-15-16-10(7-22-15)9-3-4-11-13(6-9)21-8-20-11/h3-4,6-7,12H,1-2,5,8H2,(H,16,17,18)/t12-/m0/s1.
What are the key properties of (2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?
(2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 41364782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).