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

C17H23N3O4S — CID 16867879

IUPACethyl 1-[2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CC2CSc3nc(C)cc(=O)n32)CC1
InChIInChI=1S/C17H23N3O4S/c1-3-24-16(23)12-4-6-19(7-5-12)14(21)9-13-10-25-17-18-11(2)8-15(22)20(13)17/h8,12-13H,3-7,9-10H2,1-2H3
InChIKeySOBSTROOYJLECN-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.39
Rot. Bonds4

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

ethyl 1-[2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate (PubChem CID 16867879) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is ethyl 1-[2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate
PubChem CID16867879
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Nameethyl 1-[2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CC2CSc3nc(C)cc(=O)n32)CC1
InChIInChI=1S/C17H23N3O4S/c1-3-24-16(23)12-4-6-19(7-5-12)14(21)9-13-10-25-17-18-11(2)8-15(22)20(13)17/h8,12-13H,3-7,9-10H2,1-2H3
InChIKeySOBSTROOYJLECN-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate (CID 16867879) is ethyl 1-[2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CC2CSc3nc(C)cc(=O)n32)CC1.
What is the InChIKey of ethyl 1-[2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate?
The InChIKey is SOBSTROOYJLECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-3-24-16(23)12-4-6-19(7-5-12)14(21)9-13-10-25-17-18-11(2)8-15(22)20(13)17/h8,12-13H,3-7,9-10H2,1-2H3.
What are the key properties of ethyl 1-[2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(7-methyl-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 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 16867879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).