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

C17H12N4O2S — CID 16551099

IUPAC2-(furan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
SMILESCc1nnc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)s1
InChIInChI=1S/C17H12N4O2S/c1-10-20-21-17(24-10)19-16(22)12-9-14(15-7-4-8-23-15)18-13-6-3-2-5-11(12)13/h2-9H,1H3,(H,19,21,22)
InChIKeySSCHGSCDAGKGKV-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.91
Rot. Bonds3

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

2-(furan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide (PubChem CID 16551099) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
PubChem CID16551099
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC Name2-(furan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
SMILESCc1nnc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)s1
InChIInChI=1S/C17H12N4O2S/c1-10-20-21-17(24-10)19-16(22)12-9-14(15-7-4-8-23-15)18-13-6-3-2-5-11(12)13/h2-9H,1H3,(H,19,21,22)
InChIKeySSCHGSCDAGKGKV-UHFFFAOYSA-N
XLogP3.91
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Quinoline carboxamide derivative 1
CID 4253236
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
2-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 2361954
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
2-(furan-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CID 2334294

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide (CID 16551099) is 2-(furan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide is Cc1nnc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)s1.
What is the InChIKey of 2-(furan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is SSCHGSCDAGKGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S/c1-10-20-21-17(24-10)19-16(22)12-9-14(15-7-4-8-23-15)18-13-6-3-2-5-11(12)13/h2-9H,1H3,(H,19,21,22).
What are the key properties of 2-(furan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
2-(furan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 336.38 g/mol, XLogP of 3.91, 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-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 16551099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).