3-methoxy-2-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid

C14H10N2O4S — CID 61395853

IUPAC3-methoxy-2-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1Oc1ncnc2sccc12
InChIInChI=1S/C14H10N2O4S/c1-19-10-4-2-3-8(14(17)18)11(10)20-12-9-5-6-21-13(9)16-7-15-12/h2-7H,1H3,(H,17,18)
InChIKeyTUIRHBJWWQODBQ-UHFFFAOYSA-N
MW302.31 g/mol
LogP3.19
Rot. Bonds4

About 3-methoxy-2-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid

3-methoxy-2-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid (PubChem CID 61395853) has the molecular formula C14H10N2O4S and a molecular weight of 302.31 g/mol. Its IUPAC name is 3-methoxy-2-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid.

Molecular Properties

Compound Name3-methoxy-2-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid
PubChem CID61395853
Molecular FormulaC14H10N2O4S
Molecular Weight302.31 g/mol
Exact Mass302.04
IUPAC Name3-methoxy-2-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1Oc1ncnc2sccc12
InChIInChI=1S/C14H10N2O4S/c1-19-10-4-2-3-8(14(17)18)11(10)20-12-9-5-6-21-13(9)16-7-15-12/h2-7H,1H3,(H,17,18)
InChIKeyTUIRHBJWWQODBQ-UHFFFAOYSA-N
XLogP3.19
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid?
The IUPAC name of 3-methoxy-2-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid (CID 61395853) is 3-methoxy-2-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid.
What is the SMILES notation for 3-methoxy-2-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid?
The canonical SMILES for 3-methoxy-2-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid is COc1cccc(C(=O)O)c1Oc1ncnc2sccc12.
What is the InChIKey of 3-methoxy-2-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid?
The InChIKey is TUIRHBJWWQODBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4S/c1-19-10-4-2-3-8(14(17)18)11(10)20-12-9-5-6-21-13(9)16-7-15-12/h2-7H,1H3,(H,17,18).
What are the key properties of 3-methoxy-2-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid?
3-methoxy-2-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid has a molecular weight of 302.31 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid is sourced from PubChem (CID 61395853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).