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

C9H12N2O3S — CID 55219459

IUPAC4,5-dimethyl-2-(methylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCNC(=O)Nc1sc(C)c(C)c1C(=O)O
InChIInChI=1S/C9H12N2O3S/c1-4-5(2)15-7(6(4)8(12)13)11-9(14)10-3/h1-3H3,(H,12,13)(H2,10,11,14)
InChIKeyFMZRDGDHGFZSND-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.81
Rot. Bonds2

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

4,5-dimethyl-2-(methylcarbamoylamino)thiophene-3-carboxylic acid (PubChem CID 55219459) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 4,5-dimethyl-2-(methylcarbamoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4,5-dimethyl-2-(methylcarbamoylamino)thiophene-3-carboxylic acid
PubChem CID55219459
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name4,5-dimethyl-2-(methylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCNC(=O)Nc1sc(C)c(C)c1C(=O)O
InChIInChI=1S/C9H12N2O3S/c1-4-5(2)15-7(6(4)8(12)13)11-9(14)10-3/h1-3H3,(H,12,13)(H2,10,11,14)
InChIKeyFMZRDGDHGFZSND-UHFFFAOYSA-N
XLogP1.81
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4,5-dimethyl-2-(methylcarbamoylamino)thiophene-3-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

2-[(1-carboxy-2-methylpropyl)carbamoylamino]-4,5-dimethylthiophene-3-carboxylic acid
CID 63114793
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoylamino]-4,5-dimethylthiophene-3-carboxylic acid
CID 107854026
2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4,5-dimethylthiophene-3-carboxylic acid
CID 63114088
2-(2-methoxyethylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid
CID 63113507
2-(3-ethylpentan-2-ylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid
CID 63836800
2-(4-aminobutylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid
CID 63114273
4,5-dimethyl-2-(2-methylpentan-3-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 63114188
2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamoylamino]-4,5-dimethylthiophene-3-carboxylic acid
CID 107866412
4,5-dimethyl-2-(morpholin-4-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 83026574
4,5-dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 107649001
2-(cyclobutylmethylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid
CID 63114078
4,5-dimethyl-2-(pent-3-ynylcarbamoylamino)thiophene-3-carboxylic acid
CID 116644675

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(methylcarbamoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 4,5-dimethyl-2-(methylcarbamoylamino)thiophene-3-carboxylic acid (CID 55219459) is 4,5-dimethyl-2-(methylcarbamoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 4,5-dimethyl-2-(methylcarbamoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 4,5-dimethyl-2-(methylcarbamoylamino)thiophene-3-carboxylic acid is CNC(=O)Nc1sc(C)c(C)c1C(=O)O.
What is the InChIKey of 4,5-dimethyl-2-(methylcarbamoylamino)thiophene-3-carboxylic acid?
The InChIKey is FMZRDGDHGFZSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-4-5(2)15-7(6(4)8(12)13)11-9(14)10-3/h1-3H3,(H,12,13)(H2,10,11,14).
What are the key properties of 4,5-dimethyl-2-(methylcarbamoylamino)thiophene-3-carboxylic acid?
4,5-dimethyl-2-(methylcarbamoylamino)thiophene-3-carboxylic acid has a molecular weight of 228.27 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(methylcarbamoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 55219459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).