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

C15H19N3O3S — CID 42926266

IUPACmethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1Cc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C15H19N3O3S/c1-10-9-22-15-16-11(7-13(19)18(10)15)8-17-6-4-3-5-12(17)14(20)21-2/h7,9,12H,3-6,8H2,1-2H3
InChIKeyHTXPRKYLZDJLAH-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.59
Rot. Bonds3

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

methyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate (PubChem CID 42926266) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is methyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate
PubChem CID42926266
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Namemethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1Cc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C15H19N3O3S/c1-10-9-22-15-16-11(7-13(19)18(10)15)8-17-6-4-3-5-12(17)14(20)21-2/h7,9,12H,3-6,8H2,1-2H3
InChIKeyHTXPRKYLZDJLAH-UHFFFAOYSA-N
XLogP1.59
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

methyl (2S,3aR,7aR)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 124838827
tert-butyl (2R)-2-[(2S)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-2-yl]pyrrolidine-1-carboxylate
CID 98730606
7-[[(2S)-2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 95592870
methyl (2R)-1-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]piperidine-2-carboxylate
CID 115537833
methyl (2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate
CID 79833729
7-[(3-hydroxypiperidin-1-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47103117
methyl (2R)-1-[(5-bromothiophen-3-yl)methyl]piperidine-2-carboxylate
CID 79833060
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-1-butanoylpyrrolidine-2-carboxylate
CID 51966739
7-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 60638725
7-[(4-aminopiperidin-1-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 119908930
7-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17396980
7-[[(3R)-3-ethylpiperidin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 92854225

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate (CID 42926266) is methyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1Cc1cc(=O)n2c(C)csc2n1.
What is the InChIKey of methyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate?
The InChIKey is HTXPRKYLZDJLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-10-9-22-15-16-11(7-13(19)18(10)15)8-17-6-4-3-5-12(17)14(20)21-2/h7,9,12H,3-6,8H2,1-2H3.
What are the key properties of methyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate?
methyl 1-[(3-methyl-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 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 42926266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).