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

C10H8N4O2S — CID 39013477

IUPAC3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1nnc(Cn2cnc3ccsc3c2=O)o1
InChIInChI=1S/C10H8N4O2S/c1-6-12-13-8(16-6)4-14-5-11-7-2-3-17-9(7)10(14)15/h2-3,5H,4H2,1H3
InChIKeyHSDDLBHGLWUDOD-UHFFFAOYSA-N
MW248.27 g/mol
LogP1.20
Rot. Bonds2

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

3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 39013477) has the molecular formula C10H8N4O2S and a molecular weight of 248.27 g/mol. Its IUPAC name is 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID39013477
Molecular FormulaC10H8N4O2S
Molecular Weight248.27 g/mol
Exact Mass248.04
IUPAC Name3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1nnc(Cn2cnc3ccsc3c2=O)o1
InChIInChI=1S/C10H8N4O2S/c1-6-12-13-8(16-6)4-14-5-11-7-2-3-17-9(7)10(14)15/h2-3,5H,4H2,1H3
InChIKeyHSDDLBHGLWUDOD-UHFFFAOYSA-N
XLogP1.20
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]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

Related Compounds

3-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 33279473
3-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 47160423
3-[(2,5-dimethylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 51280236
3-methyl-4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,2,4-oxadiazol-5-one
CID 146082880
3-[(3-methylquinoxalin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 18123502
3-[(4-iodophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 115650943
3-[(2-amino-1,3-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 79774558
3-[(3-amino-2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 43509260
3-[(1,3-diethylpyrazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 116620741
3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 39014426
3-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 33278584
3-nonylthieno[3,2-d]pyrimidin-4-one
CID 115582352

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one (CID 39013477) is 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one is Cc1nnc(Cn2cnc3ccsc3c2=O)o1.
What is the InChIKey of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is HSDDLBHGLWUDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2S/c1-6-12-13-8(16-6)4-14-5-11-7-2-3-17-9(7)10(14)15/h2-3,5H,4H2,1H3.
What are the key properties of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 248.27 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 39013477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).