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

C10H9N5O2S — CID 82122082

IUPAC6-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2ncc(-c3nnc(CN)o3)c(=O)n12
InChIInChI=1S/C10H9N5O2S/c1-5-4-18-10-12-3-6(9(16)15(5)10)8-14-13-7(2-11)17-8/h3-4H,2,11H2,1H3
InChIKeyFLOPHXBDGINIOS-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.57
Rot. Bonds2

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

6-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 82122082) has the molecular formula C10H9N5O2S and a molecular weight of 263.28 g/mol. Its IUPAC name is 6-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID82122082
Molecular FormulaC10H9N5O2S
Molecular Weight263.28 g/mol
Exact Mass263.05
IUPAC Name6-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2ncc(-c3nnc(CN)o3)c(=O)n12
InChIInChI=1S/C10H9N5O2S/c1-5-4-18-10-12-3-6(9(16)15(5)10)8-14-13-7(2-11)17-8/h3-4H,2,11H2,1H3
InChIKeyFLOPHXBDGINIOS-UHFFFAOYSA-N
XLogP0.57
TPSA99.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 82122082) is 6-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2ncc(-c3nnc(CN)o3)c(=O)n12.
What is the InChIKey of 6-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is FLOPHXBDGINIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2S/c1-5-4-18-10-12-3-6(9(16)15(5)10)8-14-13-7(2-11)17-8/h3-4H,2,11H2,1H3.
What are the key properties of 6-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 263.28 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 82122082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).