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

C12H17N3O4S — CID 83026574

IUPAC4,5-dimethyl-2-(morpholin-4-ylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)NN2CCOCC2)c(C(=O)O)c1C
InChIInChI=1S/C12H17N3O4S/c1-7-8(2)20-10(9(7)11(16)17)13-12(18)14-15-3-5-19-6-4-15/h3-6H2,1-2H3,(H,16,17)(H2,13,14,18)
InChIKeyOCQSEOOYTQLLGW-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.43
Rot. Bonds3

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

4,5-dimethyl-2-(morpholin-4-ylcarbamoylamino)thiophene-3-carboxylic acid (PubChem CID 83026574) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 4,5-dimethyl-2-(morpholin-4-ylcarbamoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4,5-dimethyl-2-(morpholin-4-ylcarbamoylamino)thiophene-3-carboxylic acid
PubChem CID83026574
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name4,5-dimethyl-2-(morpholin-4-ylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)NN2CCOCC2)c(C(=O)O)c1C
InChIInChI=1S/C12H17N3O4S/c1-7-8(2)20-10(9(7)11(16)17)13-12(18)14-15-3-5-19-6-4-15/h3-6H2,1-2H3,(H,16,17)(H2,13,14,18)
InChIKeyOCQSEOOYTQLLGW-UHFFFAOYSA-N
XLogP1.43
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4,5-dimethyl-2-(morpholin-4-ylcarbamoylamino)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

4,5-dimethyl-2-(methylcarbamoylamino)thiophene-3-carboxylic acid
CID 55219459
2-[(1-carboxy-2-methylpropyl)carbamoylamino]-4,5-dimethylthiophene-3-carboxylic acid
CID 63114793
4,5-dimethyl-2-[(1-methylpiperidin-4-yl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113965
4,5-dimethyl-2-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 63114672
N-[4,5-dimethyl-3-(morpholine-4-carbonyl)thiophen-2-yl]benzamide
CID 833851
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoylamino]-4,5-dimethylthiophene-3-carboxylic acid
CID 107854026
4,5-dimethyl-2-[[(2S)-oxolane-2-carbonyl]amino]thiophene-3-carboxylic acid
CID 28858400
2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4,5-dimethylthiophene-3-carboxylic acid
CID 63114088
4,5-dimethyl-2-(oxane-2-carbonylamino)thiophene-3-carboxylic acid
CID 55047609
2-(cyclobutylmethylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid
CID 63114078
2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 104959521
4,5-dimethyl-2-(1,2-oxazol-3-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 63114615

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(morpholin-4-ylcarbamoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 4,5-dimethyl-2-(morpholin-4-ylcarbamoylamino)thiophene-3-carboxylic acid (CID 83026574) is 4,5-dimethyl-2-(morpholin-4-ylcarbamoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 4,5-dimethyl-2-(morpholin-4-ylcarbamoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 4,5-dimethyl-2-(morpholin-4-ylcarbamoylamino)thiophene-3-carboxylic acid is Cc1sc(NC(=O)NN2CCOCC2)c(C(=O)O)c1C.
What is the InChIKey of 4,5-dimethyl-2-(morpholin-4-ylcarbamoylamino)thiophene-3-carboxylic acid?
The InChIKey is OCQSEOOYTQLLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-7-8(2)20-10(9(7)11(16)17)13-12(18)14-15-3-5-19-6-4-15/h3-6H2,1-2H3,(H,16,17)(H2,13,14,18).
What are the key properties of 4,5-dimethyl-2-(morpholin-4-ylcarbamoylamino)thiophene-3-carboxylic acid?
4,5-dimethyl-2-(morpholin-4-ylcarbamoylamino)thiophene-3-carboxylic acid has a molecular weight of 299.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(morpholin-4-ylcarbamoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 83026574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).