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

C12H9N5O5S2 — CID 54705989

IUPAC4-hydroxy-2-oxo-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide
SMILESNS(=O)(=O)c1nnc(NC(=O)c2c(O)c3ccccc3[nH]c2=O)s1
InChIInChI=1S/C12H9N5O5S2/c13-24(21,22)12-17-16-11(23-12)15-10(20)7-8(18)5-3-1-2-4-6(5)14-9(7)19/h1-4H,(H2,13,21,22)(H2,14,18,19)(H,15,16,20)
InChIKeyZJIMCYQNBWUTQD-UHFFFAOYSA-N
MW367.37 g/mol
LogP-0.02
Rot. Bonds3

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

4-hydroxy-2-oxo-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide (PubChem CID 54705989) has the molecular formula C12H9N5O5S2 and a molecular weight of 367.37 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide
PubChem CID54705989
Molecular FormulaC12H9N5O5S2
Molecular Weight367.37 g/mol
Exact Mass367.00
IUPAC Name4-hydroxy-2-oxo-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide
SMILESNS(=O)(=O)c1nnc(NC(=O)c2c(O)c3ccccc3[nH]c2=O)s1
InChIInChI=1S/C12H9N5O5S2/c13-24(21,22)12-17-16-11(23-12)15-10(20)7-8(18)5-3-1-2-4-6(5)14-9(7)19/h1-4H,(H2,13,21,22)(H2,14,18,19)(H,15,16,20)
InChIKeyZJIMCYQNBWUTQD-UHFFFAOYSA-N
XLogP-0.02
TPSA168.13 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

4-hydroxy-2-oxo-N-(1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide
CID 54713099
2-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid
CID 166443266
N-(4-acetylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54693736
4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 54697499
4-hydroxy-N-(3-methyl-6-oxo-1H-pyridazin-5-yl)-2-oxo-1H-quinoline-3-carboxamide
CID 54689632
tris(6-methyl-1H-pyridin-2-one);tris(N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide)
CID 139049939
N'-(2-chloroacetyl)-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide
CID 54679578
4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
CID 54706702
2,2-diamino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
CID 130452184
2,3-dihydroxybenzoic acid;tris(N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide)
CID 139145084
N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54706964
N-(3-ethylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54740490

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide (CID 54705989) is 4-hydroxy-2-oxo-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide is NS(=O)(=O)c1nnc(NC(=O)c2c(O)c3ccccc3[nH]c2=O)s1.
What is the InChIKey of 4-hydroxy-2-oxo-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide?
The InChIKey is ZJIMCYQNBWUTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O5S2/c13-24(21,22)12-17-16-11(23-12)15-10(20)7-8(18)5-3-1-2-4-6(5)14-9(7)19/h1-4H,(H2,13,21,22)(H2,14,18,19)(H,15,16,20).
What are the key properties of 4-hydroxy-2-oxo-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide?
4-hydroxy-2-oxo-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide has a molecular weight of 367.37 g/mol, XLogP of -0.02, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54705989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).