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

C11H12N2O3S — CID 7782367

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate
SMILESCC(C)C(=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C11H12N2O3S/c1-7(2)10(15)16-6-8-5-9(14)13-3-4-17-11(13)12-8/h3-5,7H,6H2,1-2H3
InChIKeyYVLMIMIKSNRCKT-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.46
Rot. Bonds3

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate (PubChem CID 7782367) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate
PubChem CID7782367
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate
SMILESCC(C)C(=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C11H12N2O3S/c1-7(2)10(15)16-6-8-5-9(14)13-3-4-17-11(13)12-8/h3-5,7H,6H2,1-2H3
InChIKeyYVLMIMIKSNRCKT-UHFFFAOYSA-N
XLogP1.46
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 7-oxo-7H-(1,3)thiazolo(3,2-A)pyrimidine-5-carboxylate
CID 648108
{5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl acetate
CID 8235554
7-(Methoxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 90860344
{5-Oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl propanoate
CID 20946469
{5-Oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl butanoate
CID 20946470
{5-Oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl pentanoate
CID 20946471
{5-Oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl 3-methylbutanoate
CID 20946472
{5-Oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl 2,2-dimethylpropanoate
CID 20946473
{5-Oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl 2-ethylbutanoate
CID 20946474
{3-Methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl acetate
CID 20946478
{3-Methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl propanoate
CID 20946480
{3-Methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl 2-methylpropanoate
CID 20946481

Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate (CID 7782367) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate is CC(C)C(=O)OCc1cc(=O)n2ccsc2n1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate?
The InChIKey is YVLMIMIKSNRCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-7(2)10(15)16-6-8-5-9(14)13-3-4-17-11(13)12-8/h3-5,7H,6H2,1-2H3.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate has a molecular weight of 252.29 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate is sourced from PubChem (CID 7782367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).