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

C13H14N4O2S — CID 646950

IUPACN-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide
SMILESCN(C(=O)C1CCOC1)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C13H14N4O2S/c1-17(12(18)9-5-7-19-8-9)13-16-15-11(20-13)10-4-2-3-6-14-10/h2-4,6,9H,5,7-8H2,1H3
InChIKeyNQUVOUKOXGTLEL-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.60
Rot. Bonds3

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

N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide (PubChem CID 646950) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide
PubChem CID646950
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide
SMILESCN(C(=O)C1CCOC1)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C13H14N4O2S/c1-17(12(18)9-5-7-19-8-9)13-16-15-11(20-13)10-4-2-3-6-14-10/h2-4,6,9H,5,7-8H2,1H3
InChIKeyNQUVOUKOXGTLEL-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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Related Compounds

N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-oxolanecarboxamide
CID 645371
2-methoxy-N-methyl-N-[5-(2-pyridinyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 647177
N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 651516
N-(5-Pyridin-2-yl-[1,3,4]thiadiazol-2-yl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 652450
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-2-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1446983
N-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide
CID 645183
N-(2-Methoxy-ethyl)-N-(5-pyridin-2-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 649578
N-methyl-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 110225695
N-Methyl-N-[5-(oxolan-3-YL)-1,3,4-thiadiazol-2-YL]pyridine-4-carboxamide
CID 110225696
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 47251778
N-methyl-N-[2-(oxan-4-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 126788605

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide?
The IUPAC name of N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide (CID 646950) is N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide?
The canonical SMILES for N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide is CN(C(=O)C1CCOC1)c1nnc(-c2ccccn2)s1.
What is the InChIKey of N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide?
The InChIKey is NQUVOUKOXGTLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-17(12(18)9-5-7-19-8-9)13-16-15-11(20-13)10-4-2-3-6-14-10/h2-4,6,9H,5,7-8H2,1H3.
What are the key properties of N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide?
N-methyl-N-(5-pyridin-2-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-2-yl-1,3,4-thiadiazol-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 646950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).