2-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide

C16H10N4O2S — CID 2361954

IUPAC2-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nncs1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C16H10N4O2S/c21-15(19-16-20-17-9-23-16)11-8-13(14-6-3-7-22-14)18-12-5-2-1-4-10(11)12/h1-9H,(H,19,20,21)
InChIKeyJDPQPVGNJIVWFF-UHFFFAOYSA-N
MW322.35 g/mol
LogP3.60
Rot. Bonds3

About 2-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide

2-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide (PubChem CID 2361954) has the molecular formula C16H10N4O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
PubChem CID2361954
Molecular FormulaC16H10N4O2S
Molecular Weight322.35 g/mol
Exact Mass322.05
IUPAC Name2-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nncs1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C16H10N4O2S/c21-15(19-16-20-17-9-23-16)11-8-13(14-6-3-7-22-14)18-12-5-2-1-4-10(11)12/h1-9H,(H,19,20,21)
InChIKeyJDPQPVGNJIVWFF-UHFFFAOYSA-N
XLogP3.60
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-methyl-2-furyl)-N-1,3-thiazol-2-yl-4-quinolinecarboxamide
CID 1358325
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(5-methyl-2-furyl)-4-quinolinecarboxamide
CID 5064757
2-(furan-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2082785
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 2088045
2-(furan-2-yl)-N-(6-methylpyridin-2-yl)quinoline-4-carboxamide
CID 2345962
2-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2366866
N-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 2371466
N-(2-furylmethyl)-2-(5-methyl-2-furyl)quinoline-4-carboxamide
CID 3237608
2-(5-methylfuran-2-yl)-N-[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]quinoline-4-carboxamide
CID 1257050
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 2120387
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide
CID 44610292
2-(2-Furyl)-N-[5-(2-furyl)-1,3,4-oxadiazol-2-yl]-4-quinolinecarboxamide
CID 53321048

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide (CID 2361954) is 2-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide is O=C(Nc1nncs1)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of 2-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is JDPQPVGNJIVWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O2S/c21-15(19-16-20-17-9-23-16)11-8-13(14-6-3-7-22-14)18-12-5-2-1-4-10(11)12/h1-9H,(H,19,20,21).
What are the key properties of 2-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
2-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 322.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 2361954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).