tert-butyl 3-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate

C16H27N3O2S — CID 103782472

IUPACtert-butyl 3-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate
SMILESCC(NCCC1CCN(C(=O)OC(C)(C)C)C1)c1cncs1
InChIInChI=1S/C16H27N3O2S/c1-12(14-9-17-11-22-14)18-7-5-13-6-8-19(10-13)15(20)21-16(2,3)4/h9,11-13,18H,5-8,10H2,1-4H3
InChIKeyYLUMIPNRKAKOCZ-UHFFFAOYSA-N
MW325.48 g/mol
LogP3.44
Rot. Bonds5

About tert-butyl 3-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate

tert-butyl 3-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate (PubChem CID 103782472) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is tert-butyl 3-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate
PubChem CID103782472
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Nametert-butyl 3-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate
SMILESCC(NCCC1CCN(C(=O)OC(C)(C)C)C1)c1cncs1
InChIInChI=1S/C16H27N3O2S/c1-12(14-9-17-11-22-14)18-7-5-13-6-8-19(10-13)15(20)21-16(2,3)4/h9,11-13,18H,5-8,10H2,1-4H3
InChIKeyYLUMIPNRKAKOCZ-UHFFFAOYSA-N
XLogP3.44
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[2-[1-(3-methylthiophen-2-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate
CID 103782479
2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]ethylamino]propanoic acid
CID 107249114
tert-butyl 3-[1-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]piperidine-1-carboxylate
CID 103780304
tert-butyl 3-[2-(2-methylpentan-3-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 103782504
tert-butyl 3-[2-(1-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107249105
tert-butyl (3R)-3-[2-(ethylamino)ethyl]pyrrolidine-1-carboxylate
CID 71635386
tert-butyl (3R)-3-[[(R)-1,3-thiazol-5-ylmethylsulfinyl]methyl]pyrrolidine-1-carboxylate
CID 97171619
tert-butyl 3-[2-(1-cyclopropylpropylamino)ethyl]pyrrolidine-1-carboxylate
CID 103782522
tert-butyl N-[1-cyclopropyl-2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate
CID 103905984
tert-butyl 3-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 71633620
tert-butyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 22594650
tert-butyl 3-[2-(pentan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 103782880

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate (CID 103782472) is tert-butyl 3-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate is CC(NCCC1CCN(C(=O)OC(C)(C)C)C1)c1cncs1.
What is the InChIKey of tert-butyl 3-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate?
The InChIKey is YLUMIPNRKAKOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-12(14-9-17-11-22-14)18-7-5-13-6-8-19(10-13)15(20)21-16(2,3)4/h9,11-13,18H,5-8,10H2,1-4H3.
What are the key properties of tert-butyl 3-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate has a molecular weight of 325.48 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 103782472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).