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

C13H14N4O2S — CID 645371

IUPACN-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide
SMILESCN(C(=O)C1CCOC1)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C13H14N4O2S/c1-17(12(18)10-4-7-19-8-10)13-16-15-11(20-13)9-2-5-14-6-3-9/h2-3,5-6,10H,4,7-8H2,1H3
InChIKeyIAXCNAUHQIYKGO-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.60
Rot. Bonds3

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

N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide (PubChem CID 645371) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide
PubChem CID645371
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide
SMILESCN(C(=O)C1CCOC1)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C13H14N4O2S/c1-17(12(18)10-4-7-19-8-10)13-16-15-11(20-13)9-2-5-14-6-3-9/h2-3,5-6,10H,4,7-8H2,1H3
InChIKeyIAXCNAUHQIYKGO-UHFFFAOYSA-N
XLogP1.60
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide?
The IUPAC name of N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide (CID 645371) is N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide?
The canonical SMILES for N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide is CN(C(=O)C1CCOC1)c1nnc(-c2ccncc2)s1.
What is the InChIKey of N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide?
The InChIKey is IAXCNAUHQIYKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-17(12(18)10-4-7-19-8-10)13-16-15-11(20-13)9-2-5-14-6-3-9/h2-3,5-6,10H,4,7-8H2,1H3.
What are the key properties of N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide?
N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 645371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).