(2S)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide

C11H11N3O2S2 — CID 1225676

IUPAC(2S)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
SMILESO=C(Nc1nnc(-c2cccs2)s1)[C@@H]1CCCO1
InChIInChI=1S/C11H11N3O2S2/c15-9(7-3-1-5-16-7)12-11-14-13-10(18-11)8-4-2-6-17-8/h2,4,6-7H,1,3,5H2,(H,12,14,15)/t7-/m0/s1
InChIKeyBFUHIMQAQBBFEO-ZETCQYMHSA-N
MW281.36 g/mol
LogP2.38
Rot. Bonds3

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

(2S)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide (PubChem CID 1225676) has the molecular formula C11H11N3O2S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2S)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
PubChem CID1225676
Molecular FormulaC11H11N3O2S2
Molecular Weight281.36 g/mol
Exact Mass281.03
IUPAC Name(2S)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
SMILESO=C(Nc1nnc(-c2cccs2)s1)[C@@H]1CCCO1
InChIInChI=1S/C11H11N3O2S2/c15-9(7-3-1-5-16-7)12-11-14-13-10(18-11)8-4-2-6-17-8/h2,4,6-7H,1,3,5H2,(H,12,14,15)/t7-/m0/s1
InChIKeyBFUHIMQAQBBFEO-ZETCQYMHSA-N
XLogP2.38
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 4877560
(2R)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1247340
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 108766306
2-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 4252560
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 108744134
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]oxane-2-carboxamide
CID 136516557
(2S)-N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 99834661
(2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1086842
N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 82176865
N-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 82176877
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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide (CID 1225676) is (2S)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide is O=C(Nc1nnc(-c2cccs2)s1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide?
The InChIKey is BFUHIMQAQBBFEO-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11N3O2S2/c15-9(7-3-1-5-16-7)12-11-14-13-10(18-11)8-4-2-6-17-8/h2,4,6-7H,1,3,5H2,(H,12,14,15)/t7-/m0/s1.
What are the key properties of (2S)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide?
(2S)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 1225676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).