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

C10H8N4O2S — CID 18147246

IUPAC3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1noc(Cn2cnc3sccc3c2=O)n1
InChIInChI=1S/C10H8N4O2S/c1-6-12-8(16-13-6)4-14-5-11-9-7(10(14)15)2-3-17-9/h2-3,5H,4H2,1H3
InChIKeyZNXHQQKUHKNSAN-UHFFFAOYSA-N
MW248.27 g/mol
LogP1.20
Rot. Bonds2

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

3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 18147246) has the molecular formula C10H8N4O2S and a molecular weight of 248.27 g/mol. Its IUPAC name is 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID18147246
Molecular FormulaC10H8N4O2S
Molecular Weight248.27 g/mol
Exact Mass248.04
IUPAC Name3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1noc(Cn2cnc3sccc3c2=O)n1
InChIInChI=1S/C10H8N4O2S/c1-6-12-8(16-13-6)4-14-5-11-9-7(10(14)15)2-3-17-9/h2-3,5H,4H2,1H3
InChIKeyZNXHQQKUHKNSAN-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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-one (CID 18147246) is 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-one is Cc1noc(Cn2cnc3sccc3c2=O)n1.
What is the InChIKey of 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is ZNXHQQKUHKNSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2S/c1-6-12-8(16-13-6)4-14-5-11-9-7(10(14)15)2-3-17-9/h2-3,5H,4H2,1H3.
What are the key properties of 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-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-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 18147246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).