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

C16H21N3O4S — CID 16867723

IUPACethyl 1-[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CC2CSc3nccc(=O)n32)CC1
InChIInChI=1S/C16H21N3O4S/c1-2-23-15(22)11-4-7-18(8-5-11)14(21)9-12-10-24-16-17-6-3-13(20)19(12)16/h3,6,11-12H,2,4-5,7-10H2,1H3
InChIKeyQZFTXIFQOXDUTR-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.08
Rot. Bonds4

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

ethyl 1-[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate (PubChem CID 16867723) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is ethyl 1-[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate
PubChem CID16867723
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Nameethyl 1-[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CC2CSc3nccc(=O)n32)CC1
InChIInChI=1S/C16H21N3O4S/c1-2-23-15(22)11-4-7-18(8-5-11)14(21)9-12-10-24-16-17-6-3-13(20)19(12)16/h3,6,11-12H,2,4-5,7-10H2,1H3
InChIKeyQZFTXIFQOXDUTR-UHFFFAOYSA-N
XLogP1.08
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

ethyl 1-(2-(5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-3-carboxylate
CID 16867722
ethyl 1-(2-(7-isopropyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-4-carboxylate
CID 16868592
methyl 1-{2-[(S)-6-isopropyl-4-oxo-1-thia-3a,7-diaza-3-indanyl]acetyl}-4-piperidinecarboxylate
CID 51530509
methyl 1-(2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-4-carboxylate
CID 16867880
methyl 1-(2-(6-methyl-5-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-4-carboxylate
CID 44044831
Ethyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate
CID 3592001
Methyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate
CID 4291416
Methyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate
CID 4293959
Ethyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate
CID 5239153
ethyl 1-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate
CID 9144125
methyl 1-(2-(5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-4-carboxylate
CID 16867724
3-(2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16867725

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(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-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate (CID 16867723) is ethyl 1-[2-(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-(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-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CC2CSc3nccc(=O)n32)CC1.
What is the InChIKey of ethyl 1-[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate?
The InChIKey is QZFTXIFQOXDUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-2-23-15(22)11-4-7-18(8-5-11)14(21)9-12-10-24-16-17-6-3-13(20)19(12)16/h3,6,11-12H,2,4-5,7-10H2,1H3.
What are the key properties of ethyl 1-[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate has a molecular weight of 351.43 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 16867723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).