7-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C13H17N3O2S — CID 60509946

IUPAC7-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN(CCO)C3CC3)cc(=O)n12
InChIInChI=1S/C13H17N3O2S/c1-9-8-19-13-14-10(6-12(18)16(9)13)7-15(4-5-17)11-2-3-11/h6,8,11,17H,2-5,7H2,1H3
InChIKeyAAPAWQRXSWPZSA-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.02
Rot. Bonds5

About 7-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 60509946) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 7-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID60509946
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name7-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN(CCO)C3CC3)cc(=O)n12
InChIInChI=1S/C13H17N3O2S/c1-9-8-19-13-14-10(6-12(18)16(9)13)7-15(4-5-17)11-2-3-11/h6,8,11,17H,2-5,7H2,1H3
InChIKeyAAPAWQRXSWPZSA-UHFFFAOYSA-N
XLogP1.02
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3-methyl-[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

Frequently Asked Questions

What is the IUPAC name of 7-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 60509946) is 7-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CN(CCO)C3CC3)cc(=O)n12.
What is the InChIKey of 7-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is AAPAWQRXSWPZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9-8-19-13-14-10(6-12(18)16(9)13)7-15(4-5-17)11-2-3-11/h6,8,11,17H,2-5,7H2,1H3.
What are the key properties of 7-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 279.36 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 60509946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).