4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid

C18H13ClN2O3S — CID 58295624

IUPAC4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid
SMILESCc1ccc(C(=O)Cc2scc(-c3ccc(Cl)cc3)c2C(=O)O)nn1
InChIInChI=1S/C18H13ClN2O3S/c1-10-2-7-14(21-20-10)15(22)8-16-17(18(23)24)13(9-25-16)11-3-5-12(19)6-4-11/h2-7,9H,8H2,1H3,(H,23,24)
InChIKeyGOTGDTYLXIRSKQ-UHFFFAOYSA-N
MW372.83 g/mol
LogP4.29
Rot. Bonds5

About 4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid

4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid (PubChem CID 58295624) has the molecular formula C18H13ClN2O3S and a molecular weight of 372.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid
PubChem CID58295624
Molecular FormulaC18H13ClN2O3S
Molecular Weight372.83 g/mol
Exact Mass372.03
IUPAC Name4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid
SMILESCc1ccc(C(=O)Cc2scc(-c3ccc(Cl)cc3)c2C(=O)O)nn1
InChIInChI=1S/C18H13ClN2O3S/c1-10-2-7-14(21-20-10)15(22)8-16-17(18(23)24)13(9-25-16)11-3-5-12(19)6-4-11/h2-7,9H,8H2,1H3,(H,23,24)
InChIKeyGOTGDTYLXIRSKQ-UHFFFAOYSA-N
XLogP4.29
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenyl)-2-(2-oxo-2-quinoxalin-2-ylethyl)thiophene-3-carboxylic acid
CID 58295460
4-(4-chlorophenyl)-2-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid
CID 58295346
2-benzamido-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid
CID 158108621
4-(4-chlorophenyl)-2-[2-[1-(4-chlorophenyl)cyclopropyl]-2-oxoethyl]thiophene-3-carboxylic acid
CID 58417687
2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(4-chloro-2-methylphenyl)thiophene-3-carboxylic acid
CID 58295540
2-[8-(3-carboxy-4-phenylthiophen-2-yl)-2,7-dioxooctyl]-4-phenylthiophene-3-carboxylic acid
CID 165002047
2-[2-(1,2,3-benzothiadiazol-5-yl)-2-oxoethyl]-4-(4-chloro-3-methoxyphenyl)thiophene-3-carboxylic acid
CID 157201676
4-(4-chlorophenyl)-2-(2,2-dimethylpropanoylamino)thiophene-3-carboxylic acid
CID 913955
4-(4-bromophenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2-methyl-5-phenylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-methylphenyl)-2-[(2-methyl-5-phenylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 123219439
2-(4-chlorophenyl)-4-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid
CID 58191196
4-(4-bromophenyl)-2-[(E)-2-oxo-4-phenylbut-3-enyl]thiophene-3-carboxylic acid
CID 58295296
4-(4-chlorophenyl)-2-[(2-chlorophenyl)methoxycarbonylamino]thiophene-3-carboxylic acid
CID 59536083

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid?
The IUPAC name of 4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid (CID 58295624) is 4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid?
The canonical SMILES for 4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid is Cc1ccc(C(=O)Cc2scc(-c3ccc(Cl)cc3)c2C(=O)O)nn1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid?
The InChIKey is GOTGDTYLXIRSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3S/c1-10-2-7-14(21-20-10)15(22)8-16-17(18(23)24)13(9-25-16)11-3-5-12(19)6-4-11/h2-7,9H,8H2,1H3,(H,23,24).
What are the key properties of 4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid?
4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid has a molecular weight of 372.83 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 58295624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).