3-methyl-6-(2-propoxyphenyl)-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one

C15H15N3O2S — CID 135417284

IUPAC3-methyl-6-(2-propoxyphenyl)-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one
SMILESCCCOc1ccccc1-c1nc2nsc(C)c2c(=O)[nH]1
InChIInChI=1S/C15H15N3O2S/c1-3-8-20-11-7-5-4-6-10(11)13-16-14-12(15(19)17-13)9(2)21-18-14/h4-7H,3,8H2,1-2H3,(H,16,17,18,19)
InChIKeyMTVDMPGRAIESLV-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.14
Rot. Bonds4

About 3-methyl-6-(2-propoxyphenyl)-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one

3-methyl-6-(2-propoxyphenyl)-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one (PubChem CID 135417284) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-methyl-6-(2-propoxyphenyl)-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-(2-propoxyphenyl)-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one
PubChem CID135417284
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name3-methyl-6-(2-propoxyphenyl)-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one
SMILESCCCOc1ccccc1-c1nc2nsc(C)c2c(=O)[nH]1
InChIInChI=1S/C15H15N3O2S/c1-3-8-20-11-7-5-4-6-10(11)13-16-14-12(15(19)17-13)9(2)21-18-14/h4-7H,3,8H2,1-2H3,(H,16,17,18,19)
InChIKeyMTVDMPGRAIESLV-UHFFFAOYSA-N
XLogP3.14
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-6-(2-propoxyphenyl)-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-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 3-methyl-6-(2-propoxyphenyl)-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-6-(2-propoxyphenyl)-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one (CID 135417284) is 3-methyl-6-(2-propoxyphenyl)-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-(2-propoxyphenyl)-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-6-(2-propoxyphenyl)-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one is CCCOc1ccccc1-c1nc2nsc(C)c2c(=O)[nH]1.
What is the InChIKey of 3-methyl-6-(2-propoxyphenyl)-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one?
The InChIKey is MTVDMPGRAIESLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-3-8-20-11-7-5-4-6-10(11)13-16-14-12(15(19)17-13)9(2)21-18-14/h4-7H,3,8H2,1-2H3,(H,16,17,18,19).
What are the key properties of 3-methyl-6-(2-propoxyphenyl)-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one?
3-methyl-6-(2-propoxyphenyl)-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one has a molecular weight of 301.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(2-propoxyphenyl)-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135417284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).