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

C12H8N2O3S2 — CID 66436488

IUPAC4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid
SMILESCc1cc2c(Oc3csc(C(=O)O)c3)ncnc2s1
InChIInChI=1S/C12H8N2O3S2/c1-6-2-8-10(13-5-14-11(8)19-6)17-7-3-9(12(15)16)18-4-7/h2-5H,1H3,(H,15,16)
InChIKeyQOBJEKSHOWGQSD-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.55
Rot. Bonds3

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

4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid (PubChem CID 66436488) has the molecular formula C12H8N2O3S2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid
PubChem CID66436488
Molecular FormulaC12H8N2O3S2
Molecular Weight292.34 g/mol
Exact Mass292.00
IUPAC Name4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid
SMILESCc1cc2c(Oc3csc(C(=O)O)c3)ncnc2s1
InChIInChI=1S/C12H8N2O3S2/c1-6-2-8-10(13-5-14-11(8)19-6)17-7-3-9(12(15)16)18-4-7/h2-5H,1H3,(H,15,16)
InChIKeyQOBJEKSHOWGQSD-UHFFFAOYSA-N
XLogP3.55
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid?
The IUPAC name of 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid (CID 66436488) is 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid.
What is the SMILES notation for 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid?
The canonical SMILES for 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid is Cc1cc2c(Oc3csc(C(=O)O)c3)ncnc2s1.
What is the InChIKey of 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid?
The InChIKey is QOBJEKSHOWGQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3S2/c1-6-2-8-10(13-5-14-11(8)19-6)17-7-3-9(12(15)16)18-4-7/h2-5H,1H3,(H,15,16).
What are the key properties of 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid?
4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid is sourced from PubChem (CID 66436488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).