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

C17H18N4OS — CID 2091388

IUPACN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)c2ccc3ccccc3n2)s1
InChIInChI=1S/C17H18N4OS/c1-3-11(4-2)16-20-21-17(23-16)19-15(22)14-10-9-12-7-5-6-8-13(12)18-14/h5-11H,3-4H2,1-2H3,(H,19,21,22)
InChIKeyCUXYHNGPTASUPT-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.24
Rot. Bonds5

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

N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide (PubChem CID 2091388) has the molecular formula C17H18N4OS and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
PubChem CID2091388
Molecular FormulaC17H18N4OS
Molecular Weight326.42 g/mol
Exact Mass326.12
IUPAC NameN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)c2ccc3ccccc3n2)s1
InChIInChI=1S/C17H18N4OS/c1-3-11(4-2)16-20-21-17(23-16)19-15(22)14-10-9-12-7-5-6-8-13(12)18-14/h5-11H,3-4H2,1-2H3,(H,19,21,22)
InChIKeyCUXYHNGPTASUPT-UHFFFAOYSA-N
XLogP4.24
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide?
The IUPAC name of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide (CID 2091388) is N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide.
What is the SMILES notation for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide?
The canonical SMILES for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide is CCC(CC)c1nnc(NC(=O)c2ccc3ccccc3n2)s1.
What is the InChIKey of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide?
The InChIKey is CUXYHNGPTASUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-3-11(4-2)16-20-21-17(23-16)19-15(22)14-10-9-12-7-5-6-8-13(12)18-14/h5-11H,3-4H2,1-2H3,(H,19,21,22).
What are the key properties of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide?
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide is sourced from PubChem (CID 2091388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).