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

C15H14N4OS — CID 24597682

IUPACN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2cccc3ncccc23)s1
InChIInChI=1S/C15H14N4OS/c1-9(2)14-18-19-15(21-14)17-13(20)11-5-3-7-12-10(11)6-4-8-16-12/h3-9H,1-2H3,(H,17,19,20)
InChIKeyYAOBVZMNKWZLOL-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.46
Rot. Bonds3

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

N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide (PubChem CID 24597682) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide
PubChem CID24597682
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2cccc3ncccc23)s1
InChIInChI=1S/C15H14N4OS/c1-9(2)14-18-19-15(21-14)17-13(20)11-5-3-7-12-10(11)6-4-8-16-12/h3-9H,1-2H3,(H,17,19,20)
InChIKeyYAOBVZMNKWZLOL-UHFFFAOYSA-N
XLogP3.46
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-phenyl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide
CID 134011955
1-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)indole-4-carboxamide
CID 45494179
2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1087655
N-(4-methyl-1,3-benzothiazol-2-yl)quinoline-5-carboxamide
CID 24594441
2-propan-2-ylsulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 17224658
(2R)-2-(quinoline-5-carbonylamino)propanoic acid
CID 54990837
N-(4-hydroxyphenyl)quinoline-5-carboxamide
CID 62069694
(2S)-3-methyl-2-(quinoline-5-carbonylamino)butanoic acid
CID 61137612
N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]quinoline-5-carboxamide
CID 24621163
(2S,3R)-3-hydroxy-2-(quinoline-5-carbonylamino)butanoic acid
CID 104964931
5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39102158
N-(4-hydroxy-3-methylbutan-2-yl)quinoline-5-carboxamide
CID 115770742

Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide?
The IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide (CID 24597682) is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide.
What is the SMILES notation for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide?
The canonical SMILES for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide is CC(C)c1nnc(NC(=O)c2cccc3ncccc23)s1.
What is the InChIKey of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide?
The InChIKey is YAOBVZMNKWZLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-9(2)14-18-19-15(21-14)17-13(20)11-5-3-7-12-10(11)6-4-8-16-12/h3-9H,1-2H3,(H,17,19,20).
What are the key properties of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide?
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide is sourced from PubChem (CID 24597682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).