4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid

C14H10N2O3S — CID 102687073

IUPAC4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid
SMILESCc1csc2c(Oc3ccc(C(=O)O)cc3)ncnc12
InChIInChI=1S/C14H10N2O3S/c1-8-6-20-12-11(8)15-7-16-13(12)19-10-4-2-9(3-5-10)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyZGOLVGYODXYGAP-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.49
Rot. Bonds3

About 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid

4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid (PubChem CID 102687073) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid.

Molecular Properties

Compound Name4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid
PubChem CID102687073
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid
SMILESCc1csc2c(Oc3ccc(C(=O)O)cc3)ncnc12
InChIInChI=1S/C14H10N2O3S/c1-8-6-20-12-11(8)15-7-16-13(12)19-10-4-2-9(3-5-10)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyZGOLVGYODXYGAP-UHFFFAOYSA-N
XLogP3.49
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid
CID 102687093
4-(4-bromo-2-methylphenoxy)-7-methylthieno[3,2-d]pyrimidine
CID 102686187
4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid
CID 63616892
3-fluoro-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzoic acid
CID 102685977
3-methyl-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline
CID 102686771
4-quinazolin-4-yloxybenzoic acid
CID 61395638
2-bromo-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline
CID 102686774
3-methylthieno[3,2-b]pyridine-7-carboxylic acid
CID 131109716
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
3-amino-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzonitrile
CID 102686754
[5-bromo-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine
CID 102687112
2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbenzoic acid
CID 102686148

Frequently Asked Questions

What is the IUPAC name of 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid?
The IUPAC name of 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid (CID 102687073) is 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid.
What is the SMILES notation for 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid?
The canonical SMILES for 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid is Cc1csc2c(Oc3ccc(C(=O)O)cc3)ncnc12.
What is the InChIKey of 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid?
The InChIKey is ZGOLVGYODXYGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c1-8-6-20-12-11(8)15-7-16-13(12)19-10-4-2-9(3-5-10)14(17)18/h2-7H,1H3,(H,17,18).
What are the key properties of 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid?
4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid has a molecular weight of 286.31 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid is sourced from PubChem (CID 102687073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).