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

C15H13N3O3S — CID 99834661

IUPAC(2S)-N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
SMILESO=C(Nc1nnc(-c2cc3ccccc3o2)s1)[C@@H]1CCCO1
InChIInChI=1S/C15H13N3O3S/c19-13(11-6-3-7-20-11)16-15-18-17-14(22-15)12-8-9-4-1-2-5-10(9)21-12/h1-2,4-5,8,11H,3,6-7H2,(H,16,18,19)/t11-/m0/s1
InChIKeyIMNAVGONJIXYEP-NSHDSACASA-N
MW315.35 g/mol
LogP3.07
Rot. Bonds3

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

(2S)-N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide (PubChem CID 99834661) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is (2S)-N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
PubChem CID99834661
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name(2S)-N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
SMILESO=C(Nc1nnc(-c2cc3ccccc3o2)s1)[C@@H]1CCCO1
InChIInChI=1S/C15H13N3O3S/c19-13(11-6-3-7-20-11)16-15-18-17-14(22-15)12-8-9-4-1-2-5-10(9)21-12/h1-2,4-5,8,11H,3,6-7H2,(H,16,18,19)/t11-/m0/s1
InChIKeyIMNAVGONJIXYEP-NSHDSACASA-N
XLogP3.07
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide with MolForge

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Related Compounds

(2S)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1225676
(2R)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1247340
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]oxane-2-carboxamide
CID 136516557
(3aR,7aS)-N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine-5-carboxamide
CID 167787007
N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 82176865
N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide
CID 11013568
N-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 82176877
N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 52988728
(2R)-N-dibenzofuran-3-yloxolane-2-carboxamide
CID 7269123
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 45154366
(2S)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 35570023
N-phenyloxolane-2-carboxamide
CID 3453643

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide (CID 99834661) is (2S)-N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide is O=C(Nc1nnc(-c2cc3ccccc3o2)s1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
The InChIKey is IMNAVGONJIXYEP-NSHDSACASA-N. The full InChI is InChI=1S/C15H13N3O3S/c19-13(11-6-3-7-20-11)16-15-18-17-14(22-15)12-8-9-4-1-2-5-10(9)21-12/h1-2,4-5,8,11H,3,6-7H2,(H,16,18,19)/t11-/m0/s1.
What are the key properties of (2S)-N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
(2S)-N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 99834661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).