4-(2,6-dimethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid

C11H10N2O2S2 — CID 79140077

IUPAC4-(2,6-dimethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid
SMILESCc1cc(Sc2csc(C(=O)O)c2)nc(C)n1
InChIInChI=1S/C11H10N2O2S2/c1-6-3-10(13-7(2)12-6)17-8-4-9(11(14)15)16-5-8/h3-5H,1-2H3,(H,14,15)
InChIKeyKWOINJPQPPIPFL-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.00
Rot. Bonds3

About 4-(2,6-dimethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid

4-(2,6-dimethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid (PubChem CID 79140077) has the molecular formula C11H10N2O2S2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-(2,6-dimethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,6-dimethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid
PubChem CID79140077
Molecular FormulaC11H10N2O2S2
Molecular Weight266.35 g/mol
Exact Mass266.02
IUPAC Name4-(2,6-dimethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid
SMILESCc1cc(Sc2csc(C(=O)O)c2)nc(C)n1
InChIInChI=1S/C11H10N2O2S2/c1-6-3-10(13-7(2)12-6)17-8-4-9(11(14)15)16-5-8/h3-5H,1-2H3,(H,14,15)
InChIKeyKWOINJPQPPIPFL-UHFFFAOYSA-N
XLogP3.00
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid?
The IUPAC name of 4-(2,6-dimethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid (CID 79140077) is 4-(2,6-dimethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-(2,6-dimethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid?
The canonical SMILES for 4-(2,6-dimethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid is Cc1cc(Sc2csc(C(=O)O)c2)nc(C)n1.
What is the InChIKey of 4-(2,6-dimethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid?
The InChIKey is KWOINJPQPPIPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S2/c1-6-3-10(13-7(2)12-6)17-8-4-9(11(14)15)16-5-8/h3-5H,1-2H3,(H,14,15).
What are the key properties of 4-(2,6-dimethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid?
4-(2,6-dimethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid has a molecular weight of 266.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid is sourced from PubChem (CID 79140077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).