ethyl 1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetyl]piperidine-4-carboxylate

C16H20N4O4S — CID 44782689

IUPACethyl 1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNc2cnc3sccn3c2=O)CC1
InChIInChI=1S/C16H20N4O4S/c1-2-24-15(23)11-3-5-19(6-4-11)13(21)10-17-12-9-18-16-20(14(12)22)7-8-25-16/h7-9,11,17H,2-6,10H2,1H3
InChIKeyAQTAYDMNNISDLY-UHFFFAOYSA-N
MW364.43 g/mol
LogP0.97
Rot. Bonds5

About ethyl 1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetyl]piperidine-4-carboxylate

ethyl 1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetyl]piperidine-4-carboxylate (PubChem CID 44782689) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is ethyl 1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetyl]piperidine-4-carboxylate
PubChem CID44782689
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Nameethyl 1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNc2cnc3sccn3c2=O)CC1
InChIInChI=1S/C16H20N4O4S/c1-2-24-15(23)11-3-5-19(6-4-11)13(21)10-17-12-9-18-16-20(14(12)22)7-8-25-16/h7-9,11,17H,2-6,10H2,1H3
InChIKeyAQTAYDMNNISDLY-UHFFFAOYSA-N
XLogP0.97
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetyl]piperidine-4-carboxylate (CID 44782689) is ethyl 1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CNc2cnc3sccn3c2=O)CC1.
What is the InChIKey of ethyl 1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetyl]piperidine-4-carboxylate?
The InChIKey is AQTAYDMNNISDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-2-24-15(23)11-3-5-19(6-4-11)13(21)10-17-12-9-18-16-20(14(12)22)7-8-25-16/h7-9,11,17H,2-6,10H2,1H3.
What are the key properties of ethyl 1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetyl]piperidine-4-carboxylate?
ethyl 1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetyl]piperidine-4-carboxylate has a molecular weight of 364.43 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 44782689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).