N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide

C13H10N4O2S — CID 4787571

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCc1nnc(NC(=O)c2cc(=O)[nH]c3ccccc23)s1
InChIInChI=1S/C13H10N4O2S/c1-7-16-17-13(20-7)15-12(19)9-6-11(18)14-10-5-3-2-4-8(9)10/h2-6H,1H3,(H,14,18)(H,15,17,19)
InChIKeyVZQOPAWELYHFDE-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.94
Rot. Bonds2

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 4787571) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide
PubChem CID4787571
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCc1nnc(NC(=O)c2cc(=O)[nH]c3ccccc23)s1
InChIInChI=1S/C13H10N4O2S/c1-7-16-17-13(20-7)15-12(19)9-6-11(18)14-10-5-3-2-4-8(9)10/h2-6H,1H3,(H,14,18)(H,15,17,19)
InChIKeyVZQOPAWELYHFDE-UHFFFAOYSA-N
XLogP1.94
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-4-carboxamide
CID 118234198
N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 31155584
2-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1H-quinoline-4-carboxamide
CID 7901259
2-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 115635314
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
N-(4-carbamoylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 8840546
N-(2-ethylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 6456887
N-(2-bromo-4-methylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7545590
ethyl 4,5-dimethyl-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]thiophene-3-carboxylate
CID 55333332
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-carboxamide
CID 17374715
N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 30593591
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indazole-4-carboxamide
CID 47381995

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide (CID 4787571) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide is Cc1nnc(NC(=O)c2cc(=O)[nH]c3ccccc23)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is VZQOPAWELYHFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c1-7-16-17-13(20-7)15-12(19)9-6-11(18)14-10-5-3-2-4-8(9)10/h2-6H,1H3,(H,14,18)(H,15,17,19).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 286.32 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 4787571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).