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

C15H14N4OS2 — CID 2125800

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide
SMILESCCSc1nnc(NC(=O)c2cc(C)nc3ccccc23)s1
InChIInChI=1S/C15H14N4OS2/c1-3-21-15-19-18-14(22-15)17-13(20)11-8-9(2)16-12-7-5-4-6-10(11)12/h4-8H,3H2,1-2H3,(H,17,18,20)
InChIKeyYKPGFADHJWDLIH-UHFFFAOYSA-N
MW330.44 g/mol
LogP3.76
Rot. Bonds4

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

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide (PubChem CID 2125800) has the molecular formula C15H14N4OS2 and a molecular weight of 330.44 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide
PubChem CID2125800
Molecular FormulaC15H14N4OS2
Molecular Weight330.44 g/mol
Exact Mass330.06
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide
SMILESCCSc1nnc(NC(=O)c2cc(C)nc3ccccc23)s1
InChIInChI=1S/C15H14N4OS2/c1-3-21-15-19-18-14(22-15)17-13(20)11-8-9(2)16-12-7-5-4-6-10(11)12/h4-8H,3H2,1-2H3,(H,17,18,20)
InChIKeyYKPGFADHJWDLIH-UHFFFAOYSA-N
XLogP3.76
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 4379471
2-(2,4-dimethylphenyl)-N-(1H-tetraazol-5-yl)-4-quinolinecarboxamide
CID 845043
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide
CID 1186276
8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(pyridin-4-yl)quinoline-4-carboxamide
CID 1261743
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 2091388
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-quinolinecarboxamide
CID 2121796
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-quinolinecarboxamide
CID 2441420
2,3-diethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 2446271
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 2475450
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-phenyl-4-quinolinecarboxamide
CID 2914673
N-(5-neopentyl-1,3,4-thiadiazol-2-yl)-2-phenyl-4-quinolinecarboxamide
CID 4615861
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide
CID 2083477

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide (CID 2125800) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide is CCSc1nnc(NC(=O)c2cc(C)nc3ccccc23)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide?
The InChIKey is YKPGFADHJWDLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS2/c1-3-21-15-19-18-14(22-15)17-13(20)11-8-9(2)16-12-7-5-4-6-10(11)12/h4-8H,3H2,1-2H3,(H,17,18,20).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide has a molecular weight of 330.44 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 2125800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).