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

C15H19N3O3S — CID 92854718

IUPACethyl (2S)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCN1Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H19N3O3S/c1-2-21-14(20)12-5-3-4-6-17(12)10-11-9-13(19)18-7-8-22-15(18)16-11/h7-9,12H,2-6,10H2,1H3/t12-/m0/s1
InChIKeySDFCTVFRQORSNZ-LBPRGKRZSA-N
MW321.40 g/mol
LogP1.67
Rot. Bonds4

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

ethyl (2S)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate (PubChem CID 92854718) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is ethyl (2S)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate
PubChem CID92854718
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Nameethyl (2S)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCN1Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H19N3O3S/c1-2-21-14(20)12-5-3-4-6-17(12)10-11-9-13(19)18-7-8-22-15(18)16-11/h7-9,12H,2-6,10H2,1H3/t12-/m0/s1
InChIKeySDFCTVFRQORSNZ-LBPRGKRZSA-N
XLogP1.67
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate?
The IUPAC name of ethyl (2S)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate (CID 92854718) is ethyl (2S)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl (2S)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl (2S)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate is CCOC(=O)[C@@H]1CCCCN1Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of ethyl (2S)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate?
The InChIKey is SDFCTVFRQORSNZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-2-21-14(20)12-5-3-4-6-17(12)10-11-9-13(19)18-7-8-22-15(18)16-11/h7-9,12H,2-6,10H2,1H3/t12-/m0/s1.
What are the key properties of ethyl (2S)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate?
ethyl (2S)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate has a molecular weight of 321.40 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 92854718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).