2-prop-2-enylsulfanyl-3-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one

C14H11N3OS2 — CID 3815129

IUPAC2-prop-2-enylsulfanyl-3-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one
SMILESC=CCSc1nc2ccsc2c(=O)n1-c1cccnc1
InChIInChI=1S/C14H11N3OS2/c1-2-7-20-14-16-11-5-8-19-12(11)13(18)17(14)10-4-3-6-15-9-10/h2-6,8-9H,1,7H2
InChIKeyOVMDNIJDFTZYBT-UHFFFAOYSA-N
MW301.40 g/mol
LogP3.12
Rot. Bonds4

About 2-prop-2-enylsulfanyl-3-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one

2-prop-2-enylsulfanyl-3-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one (PubChem CID 3815129) has the molecular formula C14H11N3OS2 and a molecular weight of 301.40 g/mol. Its IUPAC name is 2-prop-2-enylsulfanyl-3-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-prop-2-enylsulfanyl-3-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one
PubChem CID3815129
Molecular FormulaC14H11N3OS2
Molecular Weight301.40 g/mol
Exact Mass301.03
IUPAC Name2-prop-2-enylsulfanyl-3-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one
SMILESC=CCSc1nc2ccsc2c(=O)n1-c1cccnc1
InChIInChI=1S/C14H11N3OS2/c1-2-7-20-14-16-11-5-8-19-12(11)13(18)17(14)10-4-3-6-15-9-10/h2-6,8-9H,1,7H2
InChIKeyOVMDNIJDFTZYBT-UHFFFAOYSA-N
XLogP3.12
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfanyl-3-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-prop-2-enylsulfanyl-3-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one (CID 3815129) is 2-prop-2-enylsulfanyl-3-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-prop-2-enylsulfanyl-3-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-prop-2-enylsulfanyl-3-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one is C=CCSc1nc2ccsc2c(=O)n1-c1cccnc1.
What is the InChIKey of 2-prop-2-enylsulfanyl-3-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is OVMDNIJDFTZYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS2/c1-2-7-20-14-16-11-5-8-19-12(11)13(18)17(14)10-4-3-6-15-9-10/h2-6,8-9H,1,7H2.
What are the key properties of 2-prop-2-enylsulfanyl-3-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one?
2-prop-2-enylsulfanyl-3-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 301.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfanyl-3-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 3815129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).