4,5-dimethyl-2-(pyridazine-4-carbonylamino)thiophene-3-carboxylic acid

C12H11N3O3S — CID 104669364

IUPAC4,5-dimethyl-2-(pyridazine-4-carbonylamino)thiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)c2ccnnc2)c(C(=O)O)c1C
InChIInChI=1S/C12H11N3O3S/c1-6-7(2)19-11(9(6)12(17)18)15-10(16)8-3-4-13-14-5-8/h3-5H,1-2H3,(H,15,16)(H,17,18)
InChIKeyHIRRQERHNMVELF-UHFFFAOYSA-N
MW277.31 g/mol
LogP2.11
Rot. Bonds3

About 4,5-dimethyl-2-(pyridazine-4-carbonylamino)thiophene-3-carboxylic acid

4,5-dimethyl-2-(pyridazine-4-carbonylamino)thiophene-3-carboxylic acid (PubChem CID 104669364) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 4,5-dimethyl-2-(pyridazine-4-carbonylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4,5-dimethyl-2-(pyridazine-4-carbonylamino)thiophene-3-carboxylic acid
PubChem CID104669364
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name4,5-dimethyl-2-(pyridazine-4-carbonylamino)thiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)c2ccnnc2)c(C(=O)O)c1C
InChIInChI=1S/C12H11N3O3S/c1-6-7(2)19-11(9(6)12(17)18)15-10(16)8-3-4-13-14-5-8/h3-5H,1-2H3,(H,15,16)(H,17,18)
InChIKeyHIRRQERHNMVELF-UHFFFAOYSA-N
XLogP2.11
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4,5-dimethyl-2-(pyridazine-4-carbonylamino)thiophene-3-carboxylate
CID 115777763
3-methyl-5-(pyridazine-4-carbonylamino)-1,2-thiazole-4-carboxylic acid
CID 104669483
4,5-dimethyl-2-[(2-methylpyridine-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 106752473
4,5-dimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxylic acid
CID 16773867
4,5-dimethyl-2-[(3-methyl-4-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63672230
4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 950144
2-[(4-bromo-3-chlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 81289030
2-[(5-chloro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 82877767
3-[[4,5-dimethyl-2-(pyridine-4-carbonylamino)thiophene-3-carbonyl]amino]propanoic acid
CID 82033390
1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid
CID 113352863
4,5-dimethyl-2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 79802404

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(pyridazine-4-carbonylamino)thiophene-3-carboxylic acid?
The IUPAC name of 4,5-dimethyl-2-(pyridazine-4-carbonylamino)thiophene-3-carboxylic acid (CID 104669364) is 4,5-dimethyl-2-(pyridazine-4-carbonylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 4,5-dimethyl-2-(pyridazine-4-carbonylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 4,5-dimethyl-2-(pyridazine-4-carbonylamino)thiophene-3-carboxylic acid is Cc1sc(NC(=O)c2ccnnc2)c(C(=O)O)c1C.
What is the InChIKey of 4,5-dimethyl-2-(pyridazine-4-carbonylamino)thiophene-3-carboxylic acid?
The InChIKey is HIRRQERHNMVELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-6-7(2)19-11(9(6)12(17)18)15-10(16)8-3-4-13-14-5-8/h3-5H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 4,5-dimethyl-2-(pyridazine-4-carbonylamino)thiophene-3-carboxylic acid?
4,5-dimethyl-2-(pyridazine-4-carbonylamino)thiophene-3-carboxylic acid has a molecular weight of 277.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(pyridazine-4-carbonylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 104669364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).