methyl (2R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-2-carboxylate

C12H17N3O3S — CID 79833913

IUPACmethyl (2R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1CC(=O)Nc1nccs1
InChIInChI=1S/C12H17N3O3S/c1-18-11(17)9-4-2-3-6-15(9)8-10(16)14-12-13-5-7-19-12/h5,7,9H,2-4,6,8H2,1H3,(H,13,14,16)/t9-/m1/s1
InChIKeyHEEFSMLHDQGWCJ-SECBINFHSA-N
MW283.35 g/mol
LogP1.11
Rot. Bonds4

About methyl (2R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-2-carboxylate

methyl (2R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-2-carboxylate (PubChem CID 79833913) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is methyl (2R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-2-carboxylate
PubChem CID79833913
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Namemethyl (2R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1CC(=O)Nc1nccs1
InChIInChI=1S/C12H17N3O3S/c1-18-11(17)9-4-2-3-6-15(9)8-10(16)14-12-13-5-7-19-12/h5,7,9H,2-4,6,8H2,1H3,(H,13,14,16)/t9-/m1/s1
InChIKeyHEEFSMLHDQGWCJ-SECBINFHSA-N
XLogP1.11
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-2-carboxylate (CID 79833913) is methyl (2R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1CC(=O)Nc1nccs1.
What is the InChIKey of methyl (2R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-2-carboxylate?
The InChIKey is HEEFSMLHDQGWCJ-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-18-11(17)9-4-2-3-6-15(9)8-10(16)14-12-13-5-7-19-12/h5,7,9H,2-4,6,8H2,1H3,(H,13,14,16)/t9-/m1/s1.
What are the key properties of methyl (2R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-2-carboxylate?
methyl (2R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-2-carboxylate has a molecular weight of 283.35 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-2-carboxylate is sourced from PubChem (CID 79833913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).