3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid

C11H9NO3S2 — CID 16771575

IUPAC3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2ccsc2)sc1C(=O)O
InChIInChI=1S/C11H9NO3S2/c1-6-4-8(17-9(6)11(14)15)12-10(13)7-2-3-16-5-7/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyKIVBMXXMKFARMQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.07
Rot. Bonds3

About 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid

3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid (PubChem CID 16771575) has the molecular formula C11H9NO3S2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid
PubChem CID16771575
Molecular FormulaC11H9NO3S2
Molecular Weight267.33 g/mol
Exact Mass267.00
IUPAC Name3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2ccsc2)sc1C(=O)O
InChIInChI=1S/C11H9NO3S2/c1-6-4-8(17-9(6)11(14)15)12-10(13)7-2-3-16-5-7/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyKIVBMXXMKFARMQ-UHFFFAOYSA-N
XLogP3.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylate
CID 43406104
5-[(3-hydroxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16778237
5-[(3-hydroxy-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16771317
3-methyl-5-[(4-methylsulfonylbenzoyl)amino]thiophene-2-carboxylic acid
CID 16771048
5-(furan-3-carbonylamino)-3-methylthiophene-2-carboxylic acid
CID 16773361
5-[[4-(methoxymethyl)benzoyl]amino]-3-methylthiophene-2-carboxylic acid
CID 43356648
4-methyl-3-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid
CID 114914762
3-methyl-5-[(3,4,5-trifluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 63183797
3-methyl-5-[(3-methylsulfonylbenzoyl)amino]thiophene-2-carboxylic acid
CID 16770376
5-[[3-(methoxymethyl)benzoyl]amino]-3-methylthiophene-2-carboxylic acid
CID 43171275
3-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid
CID 17463691
5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 28550112

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid (CID 16771575) is 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid is Cc1cc(NC(=O)c2ccsc2)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid?
The InChIKey is KIVBMXXMKFARMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S2/c1-6-4-8(17-9(6)11(14)15)12-10(13)7-2-3-16-5-7/h2-5H,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid?
3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 16771575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).