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

C14H25N3O2S — CID 103780681

IUPACtert-butyl N-ethyl-N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate
SMILESCCN(CCNC(C)c1cncs1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25N3O2S/c1-6-17(13(18)19-14(3,4)5)8-7-16-11(2)12-9-15-10-20-12/h9-11,16H,6-8H2,1-5H3
InChIKeyAIKKRARVGJRXTK-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.05
Rot. Bonds6

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

tert-butyl N-ethyl-N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate (PubChem CID 103780681) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate
PubChem CID103780681
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Nametert-butyl N-ethyl-N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate
SMILESCCN(CCNC(C)c1cncs1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25N3O2S/c1-6-17(13(18)19-14(3,4)5)8-7-16-11(2)12-9-15-10-20-12/h9-11,16H,6-8H2,1-5H3
InChIKeyAIKKRARVGJRXTK-UHFFFAOYSA-N
XLogP3.05
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-ethyl-N-[2-[1-(3-methylthiophen-2-yl)ethylamino]ethyl]carbamate
CID 103780690
tert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate
CID 103716862
N,N-diethyl-2-[1-(1,3-thiazol-5-yl)ethylamino]acetamide
CID 115712604
tert-butyl N-[(E)-4-[1-(1,3-thiazol-5-yl)ethylamino]but-2-enyl]carbamate
CID 107253060
tert-butyl N-[3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-yl]carbamate
CID 103787700
tert-butyl N-ethyl-N-[3-[1-(5-ethylthiophen-2-yl)ethylamino]propyl]carbamate
CID 107242750
tert-butyl N-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]-N-propylcarbamate
CID 103904692
tert-butyl 3-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate
CID 103782472
tert-butyl N-(2-hydroxypropyl)-N-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]carbamate
CID 107257062
tert-butyl N-[1-cyclopropyl-2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate
CID 103905984
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propylcarbamate
CID 107246051

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate (CID 103780681) is tert-butyl N-ethyl-N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate is CCN(CCNC(C)c1cncs1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate?
The InChIKey is AIKKRARVGJRXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-6-17(13(18)19-14(3,4)5)8-7-16-11(2)12-9-15-10-20-12/h9-11,16H,6-8H2,1-5H3.
What are the key properties of tert-butyl N-ethyl-N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate?
tert-butyl N-ethyl-N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate has a molecular weight of 299.44 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate is sourced from PubChem (CID 103780681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).