tert-butyl 4-[methyl(1,3-thiazol-5-ylmethyl)amino]piperidine-1-carboxylate

C15H25N3O2S — CID 71647472

IUPACtert-butyl 4-[methyl(1,3-thiazol-5-ylmethyl)amino]piperidine-1-carboxylate
SMILESCN(Cc1cncs1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25N3O2S/c1-15(2,3)20-14(19)18-7-5-12(6-8-18)17(4)10-13-9-16-11-21-13/h9,11-12H,5-8,10H2,1-4H3
InChIKeyPSHQOWIZRDUQMM-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.97
Rot. Bonds3

About tert-butyl 4-[methyl(1,3-thiazol-5-ylmethyl)amino]piperidine-1-carboxylate

tert-butyl 4-[methyl(1,3-thiazol-5-ylmethyl)amino]piperidine-1-carboxylate (PubChem CID 71647472) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is tert-butyl 4-[methyl(1,3-thiazol-5-ylmethyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[methyl(1,3-thiazol-5-ylmethyl)amino]piperidine-1-carboxylate
PubChem CID71647472
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Nametert-butyl 4-[methyl(1,3-thiazol-5-ylmethyl)amino]piperidine-1-carboxylate
SMILESCN(Cc1cncs1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25N3O2S/c1-15(2,3)20-14(19)18-7-5-12(6-8-18)17(4)10-13-9-16-11-21-13/h9,11-12H,5-8,10H2,1-4H3
InChIKeyPSHQOWIZRDUQMM-UHFFFAOYSA-N
XLogP2.97
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[methyl(1,3-thiazol-5-ylmethyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[methyl(1,3-thiazol-5-ylmethyl)amino]piperidine-1-carboxylate (CID 71647472) is tert-butyl 4-[methyl(1,3-thiazol-5-ylmethyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[methyl(1,3-thiazol-5-ylmethyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[methyl(1,3-thiazol-5-ylmethyl)amino]piperidine-1-carboxylate is CN(Cc1cncs1)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[methyl(1,3-thiazol-5-ylmethyl)amino]piperidine-1-carboxylate?
The InChIKey is PSHQOWIZRDUQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-15(2,3)20-14(19)18-7-5-12(6-8-18)17(4)10-13-9-16-11-21-13/h9,11-12H,5-8,10H2,1-4H3.
What are the key properties of tert-butyl 4-[methyl(1,3-thiazol-5-ylmethyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[methyl(1,3-thiazol-5-ylmethyl)amino]piperidine-1-carboxylate has a molecular weight of 311.45 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[methyl(1,3-thiazol-5-ylmethyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 71647472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).