4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid

C13H10N2O3S2 — CID 66437368

IUPAC4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid
SMILESCCc1cc2c(Oc3csc(C(=O)O)c3)ncnc2s1
InChIInChI=1S/C13H10N2O3S2/c1-2-8-4-9-11(14-6-15-12(9)20-8)18-7-3-10(13(16)17)19-5-7/h3-6H,2H2,1H3,(H,16,17)
InChIKeyMDMYJUMDRUGMKE-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.81
Rot. Bonds4

About 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid

4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid (PubChem CID 66437368) has the molecular formula C13H10N2O3S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid
PubChem CID66437368
Molecular FormulaC13H10N2O3S2
Molecular Weight306.37 g/mol
Exact Mass306.01
IUPAC Name4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid
SMILESCCc1cc2c(Oc3csc(C(=O)O)c3)ncnc2s1
InChIInChI=1S/C13H10N2O3S2/c1-2-8-4-9-11(14-6-15-12(9)20-8)18-7-3-10(13(16)17)19-5-7/h3-6H,2H2,1H3,(H,16,17)
InChIKeyMDMYJUMDRUGMKE-UHFFFAOYSA-N
XLogP3.81
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid?
The IUPAC name of 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid (CID 66437368) is 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid.
What is the SMILES notation for 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid?
The canonical SMILES for 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid is CCc1cc2c(Oc3csc(C(=O)O)c3)ncnc2s1.
What is the InChIKey of 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid?
The InChIKey is MDMYJUMDRUGMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S2/c1-2-8-4-9-11(14-6-15-12(9)20-8)18-7-3-10(13(16)17)19-5-7/h3-6H,2H2,1H3,(H,16,17).
What are the key properties of 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid?
4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid has a molecular weight of 306.37 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid is sourced from PubChem (CID 66437368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).