2-[6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid

C14H11N3O3S2 — CID 56669080

IUPAC2-[6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid
SMILESCOc1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cn1
InChIInChI=1S/C14H11N3O3S2/c1-20-11-3-2-8(5-15-11)10-4-9-13(22-10)14(17-7-16-9)21-6-12(18)19/h2-5,7H,6H2,1H3,(H,18,19)
InChIKeyAGBBSOYJENLDIA-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.94
Rot. Bonds5

About 2-[6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid

2-[6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid (PubChem CID 56669080) has the molecular formula C14H11N3O3S2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid
PubChem CID56669080
Molecular FormulaC14H11N3O3S2
Molecular Weight333.39 g/mol
Exact Mass333.02
IUPAC Name2-[6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid
SMILESCOc1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cn1
InChIInChI=1S/C14H11N3O3S2/c1-20-11-3-2-8(5-15-11)10-4-9-13(22-10)14(17-7-16-9)21-6-12(18)19/h2-5,7H,6H2,1H3,(H,18,19)
InChIKeyAGBBSOYJENLDIA-UHFFFAOYSA-N
XLogP2.94
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid?
The IUPAC name of 2-[6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid (CID 56669080) is 2-[6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid?
The canonical SMILES for 2-[6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid is COc1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cn1.
What is the InChIKey of 2-[6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid?
The InChIKey is AGBBSOYJENLDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S2/c1-20-11-3-2-8(5-15-11)10-4-9-13(22-10)14(17-7-16-9)21-6-12(18)19/h2-5,7H,6H2,1H3,(H,18,19).
What are the key properties of 2-[6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid?
2-[6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid has a molecular weight of 333.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid is sourced from PubChem (CID 56669080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).