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

C13H11N3O2S — CID 1485813

IUPAC2-(2-methoxyphenyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1ccccc1-c1nn2c(=O)cc(C)nc2s1
InChIInChI=1S/C13H11N3O2S/c1-8-7-11(17)16-13(14-8)19-12(15-16)9-5-3-4-6-10(9)18-2/h3-7H,1-2H3
InChIKeyPZEBZVFVLRMDCS-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.14
Rot. Bonds2

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

2-(2-methoxyphenyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 1485813) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID1485813
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name2-(2-methoxyphenyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1ccccc1-c1nn2c(=O)cc(C)nc2s1
InChIInChI=1S/C13H11N3O2S/c1-8-7-11(17)16-13(14-8)19-12(15-16)9-5-3-4-6-10(9)18-2/h3-7H,1-2H3
InChIKeyPZEBZVFVLRMDCS-UHFFFAOYSA-N
XLogP2.14
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-(2-methoxyphenyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 1485813) is 2-(2-methoxyphenyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-(2-methoxyphenyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-(2-methoxyphenyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is COc1ccccc1-c1nn2c(=O)cc(C)nc2s1.
What is the InChIKey of 2-(2-methoxyphenyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is PZEBZVFVLRMDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-8-7-11(17)16-13(14-8)19-12(15-16)9-5-3-4-6-10(9)18-2/h3-7H,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-(2-methoxyphenyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 273.32 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 1485813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).