4,5-dimethyl-2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid

C13H13NO3S2 — CID 79802404

IUPAC4,5-dimethyl-2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1cscc1C(=O)Nc1sc(C)c(C)c1C(=O)O
InChIInChI=1S/C13H13NO3S2/c1-6-4-18-5-9(6)11(15)14-12-10(13(16)17)7(2)8(3)19-12/h4-5H,1-3H3,(H,14,15)(H,16,17)
InChIKeyUYEMIQSPTLWBIU-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.69
Rot. Bonds3

About 4,5-dimethyl-2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid

4,5-dimethyl-2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 79802404) has the molecular formula C13H13NO3S2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4,5-dimethyl-2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID79802404
Molecular FormulaC13H13NO3S2
Molecular Weight295.38 g/mol
Exact Mass295.03
IUPAC Name4,5-dimethyl-2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1cscc1C(=O)Nc1sc(C)c(C)c1C(=O)O
InChIInChI=1S/C13H13NO3S2/c1-6-4-18-5-9(6)11(15)14-12-10(13(16)17)7(2)8(3)19-12/h4-5H,1-3H3,(H,14,15)(H,16,17)
InChIKeyUYEMIQSPTLWBIU-UHFFFAOYSA-N
XLogP3.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 950144
2-[(5-chloro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 82877767
4,5-dimethyl-2-[(4-methylnaphthalene-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 175140929
2-[(2,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 29280549
2-[(2,4-dichlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 16777479
4,5-dimethyl-2-(methylcarbamoylamino)thiophene-3-carboxylic acid
CID 55219459
2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 79802577
4,5-dimethyl-2-[[2-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxylic acid
CID 16775676
2-[(1-carboxy-2-methylpropyl)carbamoylamino]-4,5-dimethylthiophene-3-carboxylic acid
CID 63114793
4,5-dimethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylic acid
CID 28778288
2-[(2,2-diphenylacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 1318924
4,5-dimethyl-2-(pyridazine-4-carbonylamino)thiophene-3-carboxylic acid
CID 104669364

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 4,5-dimethyl-2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid (CID 79802404) is 4,5-dimethyl-2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 4,5-dimethyl-2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 4,5-dimethyl-2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid is Cc1cscc1C(=O)Nc1sc(C)c(C)c1C(=O)O.
What is the InChIKey of 4,5-dimethyl-2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is UYEMIQSPTLWBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S2/c1-6-4-18-5-9(6)11(15)14-12-10(13(16)17)7(2)8(3)19-12/h4-5H,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 4,5-dimethyl-2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid?
4,5-dimethyl-2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 79802404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).