ethyl 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate

C13H18N2O3S — CID 11522014

IUPACethyl 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate
SMILESCCCc1cc(=O)n2c(n1)SCC2CC(=O)OCC
InChIInChI=1S/C13H18N2O3S/c1-3-5-9-6-11(16)15-10(7-12(17)18-4-2)8-19-13(15)14-9/h6,10H,3-5,7-8H2,1-2H3
InChIKeyKVURZLXLAZVPET-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.80
Rot. Bonds5

About ethyl 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate

ethyl 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate (PubChem CID 11522014) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is ethyl 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate
PubChem CID11522014
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Nameethyl 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate
SMILESCCCc1cc(=O)n2c(n1)SCC2CC(=O)OCC
InChIInChI=1S/C13H18N2O3S/c1-3-5-9-6-11(16)15-10(7-12(17)18-4-2)8-19-13(15)14-9/h6,10H,3-5,7-8H2,1-2H3
InChIKeyKVURZLXLAZVPET-UHFFFAOYSA-N
XLogP1.80
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate 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

(7-isopropyl-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetic acid
CID 44116732
(5-oxo-7-propyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetic acid
CID 44116824
7-ethyl-3-(2-morpholino-2-oxoethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16868216
Ethyl 4-(1-methyl-6-oxo-4-propylpyrimidin-2-yl)sulfanylbutanoate
CID 7328328
Ethyl 4-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylbutanoate
CID 7350787
Ethyl 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate
CID 11536172
N,N-diethyl-2-(7-ethyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868197
2-(7-ethyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-methoxypropyl)acetamide
CID 16868243
2-(7-ethyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-isopropoxypropyl)acetamide
CID 16868244
N-(3-ethoxypropyl)-2-(7-ethyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868246
N,N-diethyl-2-(5-oxo-7-propyl-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868387
3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-7-propyl-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16868394

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate?
The IUPAC name of ethyl 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate (CID 11522014) is ethyl 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate?
The canonical SMILES for ethyl 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate is CCCc1cc(=O)n2c(n1)SCC2CC(=O)OCC.
What is the InChIKey of ethyl 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate?
The InChIKey is KVURZLXLAZVPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-5-9-6-11(16)15-10(7-12(17)18-4-2)8-19-13(15)14-9/h6,10H,3-5,7-8H2,1-2H3.
What are the key properties of ethyl 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate?
ethyl 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate has a molecular weight of 282.37 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetate is sourced from PubChem (CID 11522014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).