2-(2-methylthieno[2,3-d]pyrimidin-4-yl)benzoic acid

C14H10N2O2S — CID 77094655

IUPAC2-(2-methylthieno[2,3-d]pyrimidin-4-yl)benzoic acid
SMILESCc1nc(-c2ccccc2C(=O)O)c2ccsc2n1
InChIInChI=1S/C14H10N2O2S/c1-8-15-12(11-6-7-19-13(11)16-8)9-4-2-3-5-10(9)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyBKUITKMZOQVPBD-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.36
Rot. Bonds2

About 2-(2-methylthieno[2,3-d]pyrimidin-4-yl)benzoic acid

2-(2-methylthieno[2,3-d]pyrimidin-4-yl)benzoic acid (PubChem CID 77094655) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-(2-methylthieno[2,3-d]pyrimidin-4-yl)benzoic acid.

Molecular Properties

Compound Name2-(2-methylthieno[2,3-d]pyrimidin-4-yl)benzoic acid
PubChem CID77094655
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name2-(2-methylthieno[2,3-d]pyrimidin-4-yl)benzoic acid
SMILESCc1nc(-c2ccccc2C(=O)O)c2ccsc2n1
InChIInChI=1S/C14H10N2O2S/c1-8-15-12(11-6-7-19-13(11)16-8)9-4-2-3-5-10(9)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyBKUITKMZOQVPBD-UHFFFAOYSA-N
XLogP3.36
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylthieno[2,3-d]pyrimidin-4-yl)benzoic acid?
The IUPAC name of 2-(2-methylthieno[2,3-d]pyrimidin-4-yl)benzoic acid (CID 77094655) is 2-(2-methylthieno[2,3-d]pyrimidin-4-yl)benzoic acid.
What is the SMILES notation for 2-(2-methylthieno[2,3-d]pyrimidin-4-yl)benzoic acid?
The canonical SMILES for 2-(2-methylthieno[2,3-d]pyrimidin-4-yl)benzoic acid is Cc1nc(-c2ccccc2C(=O)O)c2ccsc2n1.
What is the InChIKey of 2-(2-methylthieno[2,3-d]pyrimidin-4-yl)benzoic acid?
The InChIKey is BKUITKMZOQVPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c1-8-15-12(11-6-7-19-13(11)16-8)9-4-2-3-5-10(9)14(17)18/h2-7H,1H3,(H,17,18).
What are the key properties of 2-(2-methylthieno[2,3-d]pyrimidin-4-yl)benzoic acid?
2-(2-methylthieno[2,3-d]pyrimidin-4-yl)benzoic acid has a molecular weight of 270.31 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylthieno[2,3-d]pyrimidin-4-yl)benzoic acid is sourced from PubChem (CID 77094655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).