methyl 1-[2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate

C17H23N3O4S — CID 16868213

IUPACmethyl 1-[2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate
SMILESCCc1cc(=O)n2c(n1)SCC2CC(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C17H23N3O4S/c1-3-12-8-15(22)20-13(10-25-17(20)18-12)9-14(21)19-6-4-11(5-7-19)16(23)24-2/h8,11,13H,3-7,9-10H2,1-2H3
InChIKeyOBSSOFFKKPSPHG-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.25
Rot. Bonds4

About methyl 1-[2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate

methyl 1-[2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate (PubChem CID 16868213) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is methyl 1-[2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate
PubChem CID16868213
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Namemethyl 1-[2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate
SMILESCCc1cc(=O)n2c(n1)SCC2CC(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C17H23N3O4S/c1-3-12-8-15(22)20-13(10-25-17(20)18-12)9-14(21)19-6-4-11(5-7-19)16(23)24-2/h8,11,13H,3-7,9-10H2,1-2H3
InChIKeyOBSSOFFKKPSPHG-UHFFFAOYSA-N
XLogP1.25
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 1-[2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate 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 methyl 1-[2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate (CID 16868213) is methyl 1-[2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate is CCc1cc(=O)n2c(n1)SCC2CC(=O)N1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-[2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate?
The InChIKey is OBSSOFFKKPSPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-3-12-8-15(22)20-13(10-25-17(20)18-12)9-14(21)19-6-4-11(5-7-19)16(23)24-2/h8,11,13H,3-7,9-10H2,1-2H3.
What are the key properties of methyl 1-[2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate?
methyl 1-[2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate has a molecular weight of 365.46 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 16868213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).