N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide

C15H14N4OS — CID 2083477

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(C)nc3ccccc23)s1
InChIInChI=1S/C15H14N4OS/c1-3-13-18-19-15(21-13)17-14(20)11-8-9(2)16-12-7-5-4-6-10(11)12/h4-8H,3H2,1-2H3,(H,17,19,20)
InChIKeyAOKOVASPFOJIRJ-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.21
Rot. Bonds3

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide (PubChem CID 2083477) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide
PubChem CID2083477
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(C)nc3ccccc23)s1
InChIInChI=1S/C15H14N4OS/c1-3-13-18-19-15(21-13)17-14(20)11-8-9(2)16-12-7-5-4-6-10(11)12/h4-8H,3H2,1-2H3,(H,17,19,20)
InChIKeyAOKOVASPFOJIRJ-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide (CID 2083477) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide is CCc1nnc(NC(=O)c2cc(C)nc3ccccc23)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide?
The InChIKey is AOKOVASPFOJIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-3-13-18-19-15(21-13)17-14(20)11-8-9(2)16-12-7-5-4-6-10(11)12/h4-8H,3H2,1-2H3,(H,17,19,20).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 2083477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).