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

C16H21N3O3S — CID 46800750

IUPACethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1
InChIInChI=1S/C16H21N3O3S/c1-3-22-15(21)12-4-6-18(7-5-12)9-13-8-14(20)19-11(2)10-23-16(19)17-13/h8,10,12H,3-7,9H2,1-2H3
InChIKeyOESXMDLKULFRKS-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-4-carboxylate

ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate (PubChem CID 46800750) 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-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate
PubChem CID46800750
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-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1
InChIInChI=1S/C16H21N3O3S/c1-3-22-15(21)12-4-6-18(7-5-12)9-13-8-14(20)19-11(2)10-23-16(19)17-13/h8,10,12H,3-7,9H2,1-2H3
InChIKeyOESXMDLKULFRKS-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-(2-(7-isopropyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-4-carboxylate
CID 16868592
Ethyl 1-[(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperidine-4-carboxylate
CID 8088010
methyl 1-(2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-4-carboxylate
CID 16867880
Ethyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate
CID 5239153
Ethyl 1-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate
CID 8426196
Methyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-1-ium-4-carboxylate
CID 8741653
Methyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate
CID 8741654
1-O-tert-butyl 4-O-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl] piperidine-1,4-dicarboxylate
CID 8924147
Ethyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-1-ium-4-carboxylate
CID 8931144
Ethyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate
CID 8931145
ethyl 1-(2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-4-carboxylate
CID 16867879
ethyl 1-(2-(7-ethyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-4-carboxylate
CID 16868212

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-4-carboxylate?
The IUPAC name of ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate (CID 46800750) is ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1.
What is the InChIKey of ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate?
The InChIKey is OESXMDLKULFRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-3-22-15(21)12-4-6-18(7-5-12)9-13-8-14(20)19-11(2)10-23-16(19)17-13/h8,10,12H,3-7,9H2,1-2H3.
What are the key properties of ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate?
ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-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-4-carboxylate is sourced from PubChem (CID 46800750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).