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

C14H17N3O3S — CID 79835230

IUPACmethyl (2R)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C14H17N3O3S/c1-20-13(19)11-4-2-3-5-16(11)9-10-8-12(18)17-6-7-21-14(17)15-10/h6-8,11H,2-5,9H2,1H3/t11-/m1/s1
InChIKeySICQTARJMQGXEU-LLVKDONJSA-N
MW307.38 g/mol
LogP1.28
Rot. Bonds3

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

methyl (2R)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate (PubChem CID 79835230) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is methyl (2R)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate
PubChem CID79835230
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Namemethyl (2R)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C14H17N3O3S/c1-20-13(19)11-4-2-3-5-16(11)9-10-8-12(18)17-6-7-21-14(17)15-10/h6-8,11H,2-5,9H2,1H3/t11-/m1/s1
InChIKeySICQTARJMQGXEU-LLVKDONJSA-N
XLogP1.28
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate (CID 79835230) is methyl (2R)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of methyl (2R)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate?
The InChIKey is SICQTARJMQGXEU-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-20-13(19)11-4-2-3-5-16(11)9-10-8-12(18)17-6-7-21-14(17)15-10/h6-8,11H,2-5,9H2,1H3/t11-/m1/s1.
What are the key properties of methyl (2R)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate?
methyl (2R)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate has a molecular weight of 307.38 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 79835230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).