tert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate

C17H29N3O2S — CID 71633252

IUPACtert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate
SMILESCC(c1nccs1)N(C)CC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H29N3O2S/c1-13(15-18-9-11-23-15)19(5)12-14-8-6-7-10-20(14)16(21)22-17(2,3)4/h9,11,13-14H,6-8,10,12H2,1-5H3
InChIKeyIHLBEKOURGUCGQ-UHFFFAOYSA-N
MW339.51 g/mol
LogP3.93
Rot. Bonds4

About tert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate

tert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate (PubChem CID 71633252) has the molecular formula C17H29N3O2S and a molecular weight of 339.51 g/mol. Its IUPAC name is tert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate
PubChem CID71633252
Molecular FormulaC17H29N3O2S
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC Nametert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate
SMILESCC(c1nccs1)N(C)CC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H29N3O2S/c1-13(15-18-9-11-23-15)19(5)12-14-8-6-7-10-20(14)16(21)22-17(2,3)4/h9,11,13-14H,6-8,10,12H2,1-5H3
InChIKeyIHLBEKOURGUCGQ-UHFFFAOYSA-N
XLogP3.93
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]pyrrolidine-1-carboxylate
CID 71633264
tert-butyl (2R)-2-[[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate
CID 86331293
tert-butyl (2R)-2-[3-(1,3-thiazol-2-yloxy)propyl]piperidine-1-carboxylate
CID 97173228
tert-butyl 3-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 71633235
tert-butyl (2R)-2-[[methyl(1,3-thiazol-5-ylmethyl)amino]methyl]pyrrolidine-1-carboxylate
CID 97167526
tert-butyl 2-(1,3-thiazol-2-ylsulfinylmethyl)pyrrolidine-1-carboxylate
CID 71631501
tert-butyl 2-[[methyl(pyridin-2-ylmethyl)amino]methyl]piperidine-1-carboxylate
CID 71647564
tert-butyl 2-[[(2-chloropyrimidin-4-yl)methyl-methylamino]methyl]piperidine-1-carboxylate
CID 71647571
tert-butyl (2S)-2-[[1,2-benzothiazol-3-yl(methyl)amino]methyl]piperidine-1-carboxylate
CID 97167203
tert-butyl 2-[[methyl(pyrazin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 71647694
tert-butyl N-[[(2R)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-2-yl]methyl]carbamate
CID 97175606
tert-butyl N-[[(2S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-2-yl]methyl]carbamate
CID 129460547

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate (CID 71633252) is tert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate is CC(c1nccs1)N(C)CC1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is IHLBEKOURGUCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-13(15-18-9-11-23-15)19(5)12-14-8-6-7-10-20(14)16(21)22-17(2,3)4/h9,11,13-14H,6-8,10,12H2,1-5H3.
What are the key properties of tert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate?
tert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 339.51 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 71633252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).