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

C13H10N4O2S — CID 1245776

IUPAC2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C13H10N4O2S/c1-8-10(4-7-19-8)11(18)15-13-17-16-12(20-13)9-2-5-14-6-3-9/h2-7H,1H3,(H,15,17,18)
InChIKeyXCTQELBEMMZUKR-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.75
Rot. Bonds3

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

2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide (PubChem CID 1245776) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide
PubChem CID1245776
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Name2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C13H10N4O2S/c1-8-10(4-7-19-8)11(18)15-13-17-16-12(20-13)9-2-5-14-6-3-9/h2-7H,1H3,(H,15,17,18)
InChIKeyXCTQELBEMMZUKR-UHFFFAOYSA-N
XLogP2.75
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide?
The IUPAC name of 2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide (CID 1245776) is 2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide is Cc1occc1C(=O)Nc1nnc(-c2ccncc2)s1.
What is the InChIKey of 2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide?
The InChIKey is XCTQELBEMMZUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c1-8-10(4-7-19-8)11(18)15-13-17-16-12(20-13)9-2-5-14-6-3-9/h2-7H,1H3,(H,15,17,18).
What are the key properties of 2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide?
2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide has a molecular weight of 286.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide is sourced from PubChem (CID 1245776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).