6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C10H9N5O2S — CID 82122083

IUPAC6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESNCCc1nnc(-c2cnc3sccn3c2=O)o1
InChIInChI=1S/C10H9N5O2S/c11-2-1-7-13-14-8(17-7)6-5-12-10-15(9(6)16)3-4-18-10/h3-5H,1-2,11H2
InChIKeyBSMOVLKJYFYYGZ-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.31
Rot. Bonds3

About 6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 82122083) has the molecular formula C10H9N5O2S and a molecular weight of 263.28 g/mol. Its IUPAC name is 6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID82122083
Molecular FormulaC10H9N5O2S
Molecular Weight263.28 g/mol
Exact Mass263.05
IUPAC Name6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESNCCc1nnc(-c2cnc3sccn3c2=O)o1
InChIInChI=1S/C10H9N5O2S/c11-2-1-7-13-14-8(17-7)6-5-12-10-15(9(6)16)3-4-18-10/h3-5H,1-2,11H2
InChIKeyBSMOVLKJYFYYGZ-UHFFFAOYSA-N
XLogP0.31
TPSA99.31 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 ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-[1,3]thiazolo[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

Related Compounds

6-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 82122082
2-[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 82670303
5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-diazonium tetrafluoroborate
CID 11521832
2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62071809
2-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 80746041
2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069885
2-[5-(2,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 114375433
N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 129415450
5-oxo-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46556227
2-[5-(4-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069536
2-[5-(1H-1,2,4-triazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 82668695
3-[5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 64955725

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 82122083) is 6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is NCCc1nnc(-c2cnc3sccn3c2=O)o1.
What is the InChIKey of 6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is BSMOVLKJYFYYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2S/c11-2-1-7-13-14-8(17-7)6-5-12-10-15(9(6)16)3-4-18-10/h3-5H,1-2,11H2.
What are the key properties of 6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 263.28 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 82122083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).