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

C16H21N3O3S — CID 51168036

IUPACethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2cc(=O)n3c(C)csc3n2)C1
InChIInChI=1S/C16H21N3O3S/c1-3-22-15(21)12-5-4-6-18(8-12)9-13-7-14(20)19-11(2)10-23-16(19)17-13/h7,10,12H,3-6,8-9H2,1-2H3
InChIKeyLDBDCNXVZRKZNR-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.84
Rot. Bonds4

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

ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylate (PubChem CID 51168036) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylate
PubChem CID51168036
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Nameethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2cc(=O)n3c(C)csc3n2)C1
InChIInChI=1S/C16H21N3O3S/c1-3-22-15(21)12-5-4-6-18(8-12)9-13-7-14(20)19-11(2)10-23-16(19)17-13/h7,10,12H,3-6,8-9H2,1-2H3
InChIKeyLDBDCNXVZRKZNR-UHFFFAOYSA-N
XLogP1.84
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylate
CID 4875134
Ethyl 1-[2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-3-carboxylate
CID 44044801
ethyl (3S)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-1-ium-3-carboxylate
CID 2518929
ethyl (3S)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylate
CID 2518930
ethyl (3R)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-1-ium-3-carboxylate
CID 2518932
ethyl (3R)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylate
CID 2518933
Ethyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate
CID 3442391
ethyl (3R)-1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylate
CID 9444835
ethyl (3S)-1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylate
CID 9444837
ethyl 1-(2-(7-ethyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-3-carboxylate
CID 16868211
ethyl 1-(2-(5-oxo-7-propyl-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-3-carboxylate
CID 16868401
ethyl 1-(2-(7-isopropyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-3-carboxylate
CID 16868591

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylate (CID 51168036) is ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(Cc2cc(=O)n3c(C)csc3n2)C1.
What is the InChIKey of ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylate?
The InChIKey is LDBDCNXVZRKZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-3-22-15(21)12-5-4-6-18(8-12)9-13-7-14(20)19-11(2)10-23-16(19)17-13/h7,10,12H,3-6,8-9H2,1-2H3.
What are the key properties of ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylate?
ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylate has a molecular weight of 335.43 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 51168036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).