3-cyclopropyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one

C19H16N4O2S2 — CID 27375032

IUPAC3-cyclopropyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccccc1-c1noc(CSc2nc3ccsc3c(=O)n2C2CC2)n1
InChIInChI=1S/C19H16N4O2S2/c1-11-4-2-3-5-13(11)17-21-15(25-22-17)10-27-19-20-14-8-9-26-16(14)18(24)23(19)12-6-7-12/h2-5,8-9,12H,6-7,10H2,1H3
InChIKeyYOXMMTACXXVGKG-UHFFFAOYSA-N
MW396.50 g/mol
LogP4.44
Rot. Bonds5

About 3-cyclopropyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one

3-cyclopropyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 27375032) has the molecular formula C19H16N4O2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 3-cyclopropyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID27375032
Molecular FormulaC19H16N4O2S2
Molecular Weight396.50 g/mol
Exact Mass396.07
IUPAC Name3-cyclopropyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccccc1-c1noc(CSc2nc3ccsc3c(=O)n2C2CC2)n1
InChIInChI=1S/C19H16N4O2S2/c1-11-4-2-3-5-13(11)17-21-15(25-22-17)10-27-19-20-14-8-9-26-16(14)18(24)23(19)12-6-7-12/h2-5,8-9,12H,6-7,10H2,1H3
InChIKeyYOXMMTACXXVGKG-UHFFFAOYSA-N
XLogP4.44
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-cyclopropyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one 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 3-cyclopropyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-cyclopropyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one (CID 27375032) is 3-cyclopropyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-cyclopropyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-cyclopropyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one is Cc1ccccc1-c1noc(CSc2nc3ccsc3c(=O)n2C2CC2)n1.
What is the InChIKey of 3-cyclopropyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is YOXMMTACXXVGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S2/c1-11-4-2-3-5-13(11)17-21-15(25-22-17)10-27-19-20-14-8-9-26-16(14)18(24)23(19)12-6-7-12/h2-5,8-9,12H,6-7,10H2,1H3.
What are the key properties of 3-cyclopropyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
3-cyclopropyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 396.50 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 27375032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).