4-phenoxy-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidine

C15H12N2OS2 — CID 3382829

IUPAC4-phenoxy-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidine
SMILESC=CCSc1nc(Oc2ccccc2)c2sccc2n1
InChIInChI=1S/C15H12N2OS2/c1-2-9-20-15-16-12-8-10-19-13(12)14(17-15)18-11-6-4-3-5-7-11/h2-8,10H,1,9H2
InChIKeyODNAHSRJQUKZJC-UHFFFAOYSA-N
MW300.41 g/mol
LogP4.76
Rot. Bonds5

About 4-phenoxy-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidine

4-phenoxy-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidine (PubChem CID 3382829) has the molecular formula C15H12N2OS2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-phenoxy-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-phenoxy-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidine
PubChem CID3382829
Molecular FormulaC15H12N2OS2
Molecular Weight300.41 g/mol
Exact Mass300.04
IUPAC Name4-phenoxy-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidine
SMILESC=CCSc1nc(Oc2ccccc2)c2sccc2n1
InChIInChI=1S/C15H12N2OS2/c1-2-9-20-15-16-12-8-10-19-13(12)14(17-15)18-11-6-4-3-5-7-11/h2-8,10H,1,9H2
InChIKeyODNAHSRJQUKZJC-UHFFFAOYSA-N
XLogP4.76
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-phenoxy-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidine 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 4-phenoxy-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-phenoxy-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidine (CID 3382829) is 4-phenoxy-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-phenoxy-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-phenoxy-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidine is C=CCSc1nc(Oc2ccccc2)c2sccc2n1.
What is the InChIKey of 4-phenoxy-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidine?
The InChIKey is ODNAHSRJQUKZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS2/c1-2-9-20-15-16-12-8-10-19-13(12)14(17-15)18-11-6-4-3-5-7-11/h2-8,10H,1,9H2.
What are the key properties of 4-phenoxy-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidine?
4-phenoxy-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidine has a molecular weight of 300.41 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 3382829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).