4-(6-ethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid

C11H10N2O2S2 — CID 79140164

IUPAC4-(6-ethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid
SMILESCCc1cc(Sc2csc(C(=O)O)c2)ncn1
InChIInChI=1S/C11H10N2O2S2/c1-2-7-3-10(13-6-12-7)17-8-4-9(11(14)15)16-5-8/h3-6H,2H2,1H3,(H,14,15)
InChIKeyJHAKIIOCZPODJH-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.95
Rot. Bonds4

About 4-(6-ethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid

4-(6-ethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid (PubChem CID 79140164) has the molecular formula C11H10N2O2S2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-(6-ethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(6-ethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid
PubChem CID79140164
Molecular FormulaC11H10N2O2S2
Molecular Weight266.35 g/mol
Exact Mass266.02
IUPAC Name4-(6-ethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid
SMILESCCc1cc(Sc2csc(C(=O)O)c2)ncn1
InChIInChI=1S/C11H10N2O2S2/c1-2-7-3-10(13-6-12-7)17-8-4-9(11(14)15)16-5-8/h3-6H,2H2,1H3,(H,14,15)
InChIKeyJHAKIIOCZPODJH-UHFFFAOYSA-N
XLogP2.95
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid?
The IUPAC name of 4-(6-ethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid (CID 79140164) is 4-(6-ethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-(6-ethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid?
The canonical SMILES for 4-(6-ethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid is CCc1cc(Sc2csc(C(=O)O)c2)ncn1.
What is the InChIKey of 4-(6-ethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid?
The InChIKey is JHAKIIOCZPODJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S2/c1-2-7-3-10(13-6-12-7)17-8-4-9(11(14)15)16-5-8/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of 4-(6-ethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid?
4-(6-ethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid has a molecular weight of 266.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid is sourced from PubChem (CID 79140164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).