3-phenyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-one

C15H12N2OS2 — CID 3835199

IUPAC3-phenyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-one
SMILESC=CCSc1nc2ccsc2c(=O)n1-c1ccccc1
InChIInChI=1S/C15H12N2OS2/c1-2-9-20-15-16-12-8-10-19-13(12)14(18)17(15)11-6-4-3-5-7-11/h2-8,10H,1,9H2
InChIKeyGABSFJXSAWYCNH-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.73
Rot. Bonds4

About 3-phenyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-one

3-phenyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-one (PubChem CID 3835199) has the molecular formula C15H12N2OS2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-phenyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-phenyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-one
PubChem CID3835199
Molecular FormulaC15H12N2OS2
Molecular Weight300.41 g/mol
Exact Mass300.04
IUPAC Name3-phenyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-one
SMILESC=CCSc1nc2ccsc2c(=O)n1-c1ccccc1
InChIInChI=1S/C15H12N2OS2/c1-2-9-20-15-16-12-8-10-19-13(12)14(18)17(15)11-6-4-3-5-7-11/h2-8,10H,1,9H2
InChIKeyGABSFJXSAWYCNH-UHFFFAOYSA-N
XLogP3.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Hydroxyethylsulfanyl)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 5295978
3-(2-chlorophenyl)-2-methylthieno[3,2-d]pyrimidin-4(3H)-one
CID 901567
2-[4-(4-phenylpiperazin-1-yl)butyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 155516399
2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 6460856
2-Ethylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 8110222
2-(4-Oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide
CID 16279645
2-(phenylamino)-4H-thieno[3,2-d][1,3]thiazin-4-one
CID 3239546
2-(Methyl(phenyl)amino)-4H-thieno[3,2-d][1,3]thiazin-4-one
CID 3243363
2-(N-ethyl-3-methylanilino)thieno[3,2-d][1,3]thiazin-4-one
CID 9551123
2-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 901616
2-[4-(4-Fluorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one
CID 9550688
2-(Benzylsulfanyl)thieno[3,2-d]pyrimidin-4-ol
CID 135439659

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-phenyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-one (CID 3835199) is 3-phenyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-phenyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-phenyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-one is C=CCSc1nc2ccsc2c(=O)n1-c1ccccc1.
What is the InChIKey of 3-phenyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is GABSFJXSAWYCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS2/c1-2-9-20-15-16-12-8-10-19-13(12)14(18)17(15)11-6-4-3-5-7-11/h2-8,10H,1,9H2.
What are the key properties of 3-phenyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-one?
3-phenyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 300.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 3835199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).