5-(thiane-2-carbonylamino)thiophene-2-carboxylic acid

C11H13NO3S2 — CID 80593515

IUPAC5-(thiane-2-carbonylamino)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)C2CCCCS2)s1
InChIInChI=1S/C11H13NO3S2/c13-10(7-3-1-2-6-16-7)12-9-5-4-8(17-9)11(14)15/h4-5,7H,1-3,6H2,(H,12,13)(H,14,15)
InChIKeyIGBCOKQCZYFQQB-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.67
Rot. Bonds3

About 5-(thiane-2-carbonylamino)thiophene-2-carboxylic acid

5-(thiane-2-carbonylamino)thiophene-2-carboxylic acid (PubChem CID 80593515) has the molecular formula C11H13NO3S2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-(thiane-2-carbonylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(thiane-2-carbonylamino)thiophene-2-carboxylic acid
PubChem CID80593515
Molecular FormulaC11H13NO3S2
Molecular Weight271.36 g/mol
Exact Mass271.03
IUPAC Name5-(thiane-2-carbonylamino)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)C2CCCCS2)s1
InChIInChI=1S/C11H13NO3S2/c13-10(7-3-1-2-6-16-7)12-9-5-4-8(17-9)11(14)15/h4-5,7H,1-3,6H2,(H,12,13)(H,14,15)
InChIKeyIGBCOKQCZYFQQB-UHFFFAOYSA-N
XLogP2.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Hexadecylamino-2-thiophenecarboxylic acid
CID 20503559
5-(((Tert-butoxy)carbonyl)amino)thiophene-2-carboxylic acid
CID 22105569
5-(Acetylamino)thiophene-2-carboxylic acid
CID 5200375
5-Cyclopropaneamido-3-methylthiophene-2-carboxylic acid
CID 16227289
5-Cyclopropaneamidothiophene-2-carboxylic acid
CID 16227467
5-(2-Iodobenzamido)-3-methylthiophene-2-carboxylic acid
CID 16771598
5-(3-Fluorobenzamido)-3-methylthiophene-2-carboxylic acid
CID 16773934
6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylic acid
CID 168966792
5-[(3-Fluoro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16770616
3-Methyl-5-(3,3,3-trifluoropropanoylamino)thiophene-2-carboxylic acid
CID 16774135
5-[(2,4-Difluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16774726
5-[(4-Fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16775307

Frequently Asked Questions

What is the IUPAC name of 5-(thiane-2-carbonylamino)thiophene-2-carboxylic acid?
The IUPAC name of 5-(thiane-2-carbonylamino)thiophene-2-carboxylic acid (CID 80593515) is 5-(thiane-2-carbonylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(thiane-2-carbonylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(thiane-2-carbonylamino)thiophene-2-carboxylic acid is O=C(O)c1ccc(NC(=O)C2CCCCS2)s1.
What is the InChIKey of 5-(thiane-2-carbonylamino)thiophene-2-carboxylic acid?
The InChIKey is IGBCOKQCZYFQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S2/c13-10(7-3-1-2-6-16-7)12-9-5-4-8(17-9)11(14)15/h4-5,7H,1-3,6H2,(H,12,13)(H,14,15).
What are the key properties of 5-(thiane-2-carbonylamino)thiophene-2-carboxylic acid?
5-(thiane-2-carbonylamino)thiophene-2-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiane-2-carbonylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 80593515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).