(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclohexanecarboxylate

C15H18N2O3S — CID 20946485

IUPAC(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclohexanecarboxylate
SMILESCc1csc2nc(COC(=O)C3CCCCC3)cc(=O)n12
InChIInChI=1S/C15H18N2O3S/c1-10-9-21-15-16-12(7-13(18)17(10)15)8-20-14(19)11-5-3-2-4-6-11/h7,9,11H,2-6,8H2,1H3
InChIKeyXFXMJQFGSGAWTG-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.69
Rot. Bonds3

About (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclohexanecarboxylate

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclohexanecarboxylate (PubChem CID 20946485) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclohexanecarboxylate.

Molecular Properties

Compound Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclohexanecarboxylate
PubChem CID20946485
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclohexanecarboxylate
SMILESCc1csc2nc(COC(=O)C3CCCCC3)cc(=O)n12
InChIInChI=1S/C15H18N2O3S/c1-10-9-21-15-16-12(7-13(18)17(10)15)8-20-14(19)11-5-3-2-4-6-11/h7,9,11H,2-6,8H2,1H3
InChIKeyXFXMJQFGSGAWTG-UHFFFAOYSA-N
XLogP2.69
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclohexanecarboxylate 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-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclohexanecarboxylate?
The IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclohexanecarboxylate (CID 20946485) is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclohexanecarboxylate.
What is the SMILES notation for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclohexanecarboxylate?
The canonical SMILES for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclohexanecarboxylate is Cc1csc2nc(COC(=O)C3CCCCC3)cc(=O)n12.
What is the InChIKey of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclohexanecarboxylate?
The InChIKey is XFXMJQFGSGAWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10-9-21-15-16-12(7-13(18)17(10)15)8-20-14(19)11-5-3-2-4-6-11/h7,9,11H,2-6,8H2,1H3.
What are the key properties of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclohexanecarboxylate?
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclohexanecarboxylate has a molecular weight of 306.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclohexanecarboxylate is sourced from PubChem (CID 20946485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).