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

C15H12N4OS — CID 17402298

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1ccc2ccccc2n1
InChIInChI=1S/C15H12N4OS/c20-13(17-15-19-18-14(21-15)10-5-6-10)12-8-7-9-3-1-2-4-11(9)16-12/h1-4,7-8,10H,5-6H2,(H,17,19,20)
InChIKeyNAPUCIXSDZJMIK-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.22
Rot. Bonds3

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

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide (PubChem CID 17402298) has the molecular formula C15H12N4OS and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
PubChem CID17402298
Molecular FormulaC15H12N4OS
Molecular Weight296.35 g/mol
Exact Mass296.07
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1ccc2ccccc2n1
InChIInChI=1S/C15H12N4OS/c20-13(17-15-19-18-14(21-15)10-5-6-10)12-8-7-9-3-1-2-4-11(9)16-12/h1-4,7-8,10H,5-6H2,(H,17,19,20)
InChIKeyNAPUCIXSDZJMIK-UHFFFAOYSA-N
XLogP3.22
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 26197186
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 17218011
N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 17399707
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide
CID 4812441
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-1-ylacetamide
CID 8503008
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,6-dimethoxybenzamide
CID 13239341
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2090181
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 2408234
4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 29412076
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide
CID 8503017
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 18089607
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzothiophene-2-carboxamide
CID 24647540

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide (CID 17402298) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide is O=C(Nc1nnc(C2CC2)s1)c1ccc2ccccc2n1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide?
The InChIKey is NAPUCIXSDZJMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c20-13(17-15-19-18-14(21-15)10-5-6-10)12-8-7-9-3-1-2-4-11(9)16-12/h1-4,7-8,10H,5-6H2,(H,17,19,20).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide has a molecular weight of 296.35 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide is sourced from PubChem (CID 17402298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).