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

C16H27N3O2S — CID 71633264

IUPACtert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]pyrrolidine-1-carboxylate
SMILESCC(c1nccs1)N(C)CC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H27N3O2S/c1-12(14-17-8-10-22-14)18(5)11-13-7-6-9-19(13)15(20)21-16(2,3)4/h8,10,12-13H,6-7,9,11H2,1-5H3
InChIKeyFOKSCZQUVJGVOZ-UHFFFAOYSA-N
MW325.48 g/mol
LogP3.54
Rot. Bonds4

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

tert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]pyrrolidine-1-carboxylate (PubChem CID 71633264) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is tert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]pyrrolidine-1-carboxylate
PubChem CID71633264
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Nametert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]pyrrolidine-1-carboxylate
SMILESCC(c1nccs1)N(C)CC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H27N3O2S/c1-12(14-17-8-10-22-14)18(5)11-13-7-6-9-19(13)15(20)21-16(2,3)4/h8,10,12-13H,6-7,9,11H2,1-5H3
InChIKeyFOKSCZQUVJGVOZ-UHFFFAOYSA-N
XLogP3.54
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate
CID 71633252
tert-butyl (2R)-2-[[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate
CID 86331293
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 (2R)-2-[3-(1,3-thiazol-2-yloxy)propyl]piperidine-1-carboxylate
CID 97173228
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
tert-butyl (2S)-2-[[[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]methyl]pyrrolidine-1-carboxylate
CID 97172775
tert-butyl (3S)-3-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 96563343
tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 96563340

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]pyrrolidine-1-carboxylate (CID 71633264) is tert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]pyrrolidine-1-carboxylate is CC(c1nccs1)N(C)CC1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]pyrrolidine-1-carboxylate?
The InChIKey is FOKSCZQUVJGVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-12(14-17-8-10-22-14)18(5)11-13-7-6-9-19(13)15(20)21-16(2,3)4/h8,10,12-13H,6-7,9,11H2,1-5H3.
What are the key properties of tert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]pyrrolidine-1-carboxylate has a molecular weight of 325.48 g/mol, XLogP of 3.54, 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]pyrrolidine-1-carboxylate is sourced from PubChem (CID 71633264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).