7-[(3-hydroxypyrrolidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C10H12N4O2S — CID 55131544

IUPAC7-[(3-hydroxypyrrolidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCC(O)C2)nc2scnn12
InChIInChI=1S/C10H12N4O2S/c15-8-1-2-13(5-8)4-7-3-9(16)14-10(12-7)17-6-11-14/h3,6,8,15H,1-2,4-5H2
InChIKeyBSECNUSGOICNCW-UHFFFAOYSA-N
MW252.30 g/mol
LogP-0.28
Rot. Bonds2

About 7-[(3-hydroxypyrrolidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-[(3-hydroxypyrrolidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 55131544) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 7-[(3-hydroxypyrrolidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(3-hydroxypyrrolidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID55131544
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name7-[(3-hydroxypyrrolidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCC(O)C2)nc2scnn12
InChIInChI=1S/C10H12N4O2S/c15-8-1-2-13(5-8)4-7-3-9(16)14-10(12-7)17-6-11-14/h3,6,8,15H,1-2,4-5H2
InChIKeyBSECNUSGOICNCW-UHFFFAOYSA-N
XLogP-0.28
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[(3-hydroxypyrrolidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-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 7-[(3-hydroxypyrrolidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(3-hydroxypyrrolidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 55131544) is 7-[(3-hydroxypyrrolidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(3-hydroxypyrrolidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(3-hydroxypyrrolidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CN2CCC(O)C2)nc2scnn12.
What is the InChIKey of 7-[(3-hydroxypyrrolidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is BSECNUSGOICNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c15-8-1-2-13(5-8)4-7-3-9(16)14-10(12-7)17-6-11-14/h3,6,8,15H,1-2,4-5H2.
What are the key properties of 7-[(3-hydroxypyrrolidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-[(3-hydroxypyrrolidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 252.30 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-hydroxypyrrolidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 55131544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).