5-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methylcarbamoyl]thiophene-2-carboxylic acid

C15H17N3O4S — CID 120552216

IUPAC5-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methylcarbamoyl]thiophene-2-carboxylic acid
SMILESCCc1n[nH]c(=O)c(CNC(=O)c2ccc(C(=O)O)s2)c1CC
InChIInChI=1S/C15H17N3O4S/c1-3-8-9(13(19)18-17-10(8)4-2)7-16-14(20)11-5-6-12(23-11)15(21)22/h5-6H,3-4,7H2,1-2H3,(H,16,20)(H,18,19)(H,21,22)
InChIKeyRAQAUXMTTYZXMD-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.58
Rot. Bonds6

About 5-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methylcarbamoyl]thiophene-2-carboxylic acid

5-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methylcarbamoyl]thiophene-2-carboxylic acid (PubChem CID 120552216) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 5-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methylcarbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methylcarbamoyl]thiophene-2-carboxylic acid
PubChem CID120552216
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name5-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methylcarbamoyl]thiophene-2-carboxylic acid
SMILESCCc1n[nH]c(=O)c(CNC(=O)c2ccc(C(=O)O)s2)c1CC
InChIInChI=1S/C15H17N3O4S/c1-3-8-9(13(19)18-17-10(8)4-2)7-16-14(20)11-5-6-12(23-11)15(21)22/h5-6H,3-4,7H2,1-2H3,(H,16,20)(H,18,19)(H,21,22)
InChIKeyRAQAUXMTTYZXMD-UHFFFAOYSA-N
XLogP1.58
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methylcarbamoyl]thiophene-2-carboxylic acid 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

N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5-ethylfuran-2-carboxamide
CID 71968957
1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethylurea
CID 71846788
N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide
CID 71911491
3,4-diethyl-6-oxo-1H-pyridazine-5-carboxylic acid
CID 71755942
5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 115991451
3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-3-phenylpropanamide
CID 167840250
3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide
CID 120873070
3,4-diethyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-6-oxo-1H-pyridazine-5-carboxamide
CID 71853824
5-(1,3-thiazol-2-ylmethylcarbamoyl)thiophene-2-carboxylic acid
CID 55021448
(1R)-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 125131325
1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 166212514
2-cyclohexyloxy-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]acetamide
CID 71917190

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methylcarbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methylcarbamoyl]thiophene-2-carboxylic acid (CID 120552216) is 5-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methylcarbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methylcarbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methylcarbamoyl]thiophene-2-carboxylic acid is CCc1n[nH]c(=O)c(CNC(=O)c2ccc(C(=O)O)s2)c1CC.
What is the InChIKey of 5-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methylcarbamoyl]thiophene-2-carboxylic acid?
The InChIKey is RAQAUXMTTYZXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-3-8-9(13(19)18-17-10(8)4-2)7-16-14(20)11-5-6-12(23-11)15(21)22/h5-6H,3-4,7H2,1-2H3,(H,16,20)(H,18,19)(H,21,22).
What are the key properties of 5-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methylcarbamoyl]thiophene-2-carboxylic acid?
5-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methylcarbamoyl]thiophene-2-carboxylic acid has a molecular weight of 335.39 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methylcarbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 120552216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).