5-(2,5-dimethyl-1H-imidazol-4-yl)thiophene-2-carboxylic acid

C10H10N2O2S — CID 90124228

IUPAC5-(2,5-dimethyl-1H-imidazol-4-yl)thiophene-2-carboxylic acid
SMILESCc1nc(-c2ccc(C(=O)O)s2)c(C)[nH]1
InChIInChI=1S/C10H10N2O2S/c1-5-9(12-6(2)11-5)7-3-4-8(15-7)10(13)14/h3-4H,1-2H3,(H,11,12)(H,13,14)
InChIKeyTWDIPNUHDXFTRQ-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.45
Rot. Bonds2

About 5-(2,5-dimethyl-1H-imidazol-4-yl)thiophene-2-carboxylic acid

5-(2,5-dimethyl-1H-imidazol-4-yl)thiophene-2-carboxylic acid (PubChem CID 90124228) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 5-(2,5-dimethyl-1H-imidazol-4-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,5-dimethyl-1H-imidazol-4-yl)thiophene-2-carboxylic acid
PubChem CID90124228
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name5-(2,5-dimethyl-1H-imidazol-4-yl)thiophene-2-carboxylic acid
SMILESCc1nc(-c2ccc(C(=O)O)s2)c(C)[nH]1
InChIInChI=1S/C10H10N2O2S/c1-5-9(12-6(2)11-5)7-3-4-8(15-7)10(13)14/h3-4H,1-2H3,(H,11,12)(H,13,14)
InChIKeyTWDIPNUHDXFTRQ-UHFFFAOYSA-N
XLogP2.45
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethyl-1H-imidazol-4-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2,5-dimethyl-1H-imidazol-4-yl)thiophene-2-carboxylic acid (CID 90124228) is 5-(2,5-dimethyl-1H-imidazol-4-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2,5-dimethyl-1H-imidazol-4-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2,5-dimethyl-1H-imidazol-4-yl)thiophene-2-carboxylic acid is Cc1nc(-c2ccc(C(=O)O)s2)c(C)[nH]1.
What is the InChIKey of 5-(2,5-dimethyl-1H-imidazol-4-yl)thiophene-2-carboxylic acid?
The InChIKey is TWDIPNUHDXFTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-5-9(12-6(2)11-5)7-3-4-8(15-7)10(13)14/h3-4H,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 5-(2,5-dimethyl-1H-imidazol-4-yl)thiophene-2-carboxylic acid?
5-(2,5-dimethyl-1H-imidazol-4-yl)thiophene-2-carboxylic acid has a molecular weight of 222.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethyl-1H-imidazol-4-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 90124228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).