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

C12H12N4O2S — CID 2971432

IUPACN-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccncc2)s1)C1CCCO1
InChIInChI=1S/C12H12N4O2S/c17-10(9-2-1-7-18-9)14-12-16-15-11(19-12)8-3-5-13-6-4-8/h3-6,9H,1-2,7H2,(H,14,16,17)
InChIKeyTVKQNDWESSIEFC-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.72
Rot. Bonds3

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

N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide (PubChem CID 2971432) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
PubChem CID2971432
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC NameN-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccncc2)s1)C1CCCO1
InChIInChI=1S/C12H12N4O2S/c17-10(9-2-1-7-18-9)14-12-16-15-11(19-12)8-3-5-13-6-4-8/h3-6,9H,1-2,7H2,(H,14,16,17)
InChIKeyTVKQNDWESSIEFC-UHFFFAOYSA-N
XLogP1.72
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Acetamide, N-(5-(4-pyridyl)-1,3,4-thiadiazol-2-yl)-
CID 19289
N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 651516
Tetrahydro-furan-2-carboxylic acid methyl-[5-(6-methyl-pyridin-3-yl)-[1,3,4]thiadiazol-2-yl]-amide
CID 656376
N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 648205
N-[5-(4-pyridinyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 1247371
2,2-dimethyl-N-[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 695206
N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 800225
N-[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 3791124
3,3-dimethyl-2-oxo-N-[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 155923836
2-oxo-N-[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]hexanamide
CID 155923879
2-oxo-N-[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 155925231
(2S)-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)oxolane-2-carboxamide
CID 122130996

Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide?
The IUPAC name of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide (CID 2971432) is N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide is O=C(Nc1nnc(-c2ccncc2)s1)C1CCCO1.
What is the InChIKey of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide?
The InChIKey is TVKQNDWESSIEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c17-10(9-2-1-7-18-9)14-12-16-15-11(19-12)8-3-5-13-6-4-8/h3-6,9H,1-2,7H2,(H,14,16,17).
What are the key properties of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide?
N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 2971432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).