4-(1-methylimidazol-2-yl)oxythiophene-2-carboxylic acid

C9H8N2O3S — CID 66438899

IUPAC4-(1-methylimidazol-2-yl)oxythiophene-2-carboxylic acid
SMILESCn1ccnc1Oc1csc(C(=O)O)c1
InChIInChI=1S/C9H8N2O3S/c1-11-3-2-10-9(11)14-6-4-7(8(12)13)15-5-6/h2-5H,1H3,(H,12,13)
InChIKeyQFPIMIGAFSBELG-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.97
Rot. Bonds3

About 4-(1-methylimidazol-2-yl)oxythiophene-2-carboxylic acid

4-(1-methylimidazol-2-yl)oxythiophene-2-carboxylic acid (PubChem CID 66438899) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)oxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)oxythiophene-2-carboxylic acid
PubChem CID66438899
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Name4-(1-methylimidazol-2-yl)oxythiophene-2-carboxylic acid
SMILESCn1ccnc1Oc1csc(C(=O)O)c1
InChIInChI=1S/C9H8N2O3S/c1-11-3-2-10-9(11)14-6-4-7(8(12)13)15-5-6/h2-5H,1H3,(H,12,13)
InChIKeyQFPIMIGAFSBELG-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)oxy]thiophene-2-carboxylic acid
CID 66437798
4-[(4-methyl-2-pyridinyl)oxy]thiophene-2-carboxylic acid
CID 66436717
4-(6-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid
CID 66437578
4-[(1-methylimidazol-2-yl)methylsulfanyl]thiophene-2-carboxylic acid
CID 79149430
4-(5-iodopyrimidin-2-yl)oxythiophene-2-carboxylic acid
CID 116649335
4-[(4-methyl-1,3-thiazol-2-yl)oxy]thiophene-2-carboxylic acid
CID 66437150
4-(1-methylimidazol-2-yl)oxybenzamide
CID 170637060
4-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61063163
4-(6-methoxyisoquinolin-1-yl)oxythiophene-2-carboxylic acid
CID 106541785
4-[4-(2-methoxyethyl)phenoxy]thiophene-2-carboxylic acid
CID 113404027
4-(2,6-dimethoxyphenoxy)thiophene-2-carboxylic acid
CID 113404010
4-pyrazolo[1,5-a]pyrimidin-5-yloxythiophene-2-carboxylic acid
CID 113296835

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)oxythiophene-2-carboxylic acid?
The IUPAC name of 4-(1-methylimidazol-2-yl)oxythiophene-2-carboxylic acid (CID 66438899) is 4-(1-methylimidazol-2-yl)oxythiophene-2-carboxylic acid.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)oxythiophene-2-carboxylic acid?
The canonical SMILES for 4-(1-methylimidazol-2-yl)oxythiophene-2-carboxylic acid is Cn1ccnc1Oc1csc(C(=O)O)c1.
What is the InChIKey of 4-(1-methylimidazol-2-yl)oxythiophene-2-carboxylic acid?
The InChIKey is QFPIMIGAFSBELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c1-11-3-2-10-9(11)14-6-4-7(8(12)13)15-5-6/h2-5H,1H3,(H,12,13).
What are the key properties of 4-(1-methylimidazol-2-yl)oxythiophene-2-carboxylic acid?
4-(1-methylimidazol-2-yl)oxythiophene-2-carboxylic acid has a molecular weight of 224.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)oxythiophene-2-carboxylic acid is sourced from PubChem (CID 66438899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).