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

C10H9N5O2S — CID 114218090

IUPAC3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-one
SMILESNCc1nc(Cn2cnc3sccc3c2=O)no1
InChIInChI=1S/C10H9N5O2S/c11-3-8-13-7(14-17-8)4-15-5-12-9-6(10(15)16)1-2-18-9/h1-2,5H,3-4,11H2
InChIKeyKULODGSDVCKOCS-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.35
Rot. Bonds3

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

3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 114218090) has the molecular formula C10H9N5O2S and a molecular weight of 263.28 g/mol. Its IUPAC name is 3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID114218090
Molecular FormulaC10H9N5O2S
Molecular Weight263.28 g/mol
Exact Mass263.05
IUPAC Name3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-one
SMILESNCc1nc(Cn2cnc3sccc3c2=O)no1
InChIInChI=1S/C10H9N5O2S/c11-3-8-13-7(14-17-8)4-15-5-12-9-6(10(15)16)1-2-18-9/h1-2,5H,3-4,11H2
InChIKeyKULODGSDVCKOCS-UHFFFAOYSA-N
XLogP0.35
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-one (CID 114218090) is 3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-one is NCc1nc(Cn2cnc3sccc3c2=O)no1.
What is the InChIKey of 3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is KULODGSDVCKOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2S/c11-3-8-13-7(14-17-8)4-15-5-12-9-6(10(15)16)1-2-18-9/h1-2,5H,3-4,11H2.
What are the key properties of 3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 263.28 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 114218090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).