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

C10H17N3O2S — CID 107237311

IUPACtert-butyl N-[1-(1,3-thiazol-2-yl)ethylamino]carbamate
SMILESCC(NNC(=O)OC(C)(C)C)c1nccs1
InChIInChI=1S/C10H17N3O2S/c1-7(8-11-5-6-16-8)12-13-9(14)15-10(2,3)4/h5-7,12H,1-4H3,(H,13,14)
InChIKeyJJIIRZKVZZUGIC-UHFFFAOYSA-N
MW243.33 g/mol
LogP2.23
Rot. Bonds3

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

tert-butyl N-[1-(1,3-thiazol-2-yl)ethylamino]carbamate (PubChem CID 107237311) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is tert-butyl N-[1-(1,3-thiazol-2-yl)ethylamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1,3-thiazol-2-yl)ethylamino]carbamate
PubChem CID107237311
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Nametert-butyl N-[1-(1,3-thiazol-2-yl)ethylamino]carbamate
SMILESCC(NNC(=O)OC(C)(C)C)c1nccs1
InChIInChI=1S/C10H17N3O2S/c1-7(8-11-5-6-16-8)12-13-9(14)15-10(2,3)4/h5-7,12H,1-4H3,(H,13,14)
InChIKeyJJIIRZKVZZUGIC-UHFFFAOYSA-N
XLogP2.23
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]carbamate
CID 103390074
tert-butyl N-[2-cyclopropyl-2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]carbamate
CID 103898794
tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]pentyl]carbamate
CID 107253798
tert-butyl N-[(1R,2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclohexyl]carbamate
CID 75441287
tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
CID 64688740
tert-butyl N-[3-hydroxy-3-(1,3-thiazol-2-yl)propyl]carbamate
CID 70144327
tert-butyl N-[(1S,2R)-1-hydroxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate
CID 22843594
tert-butyl N-(1-pyridin-4-ylethylamino)carbamate
CID 16732605
tert-butyl N-[[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methyl]carbamate
CID 103936431
tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate
CID 11796101
tert-butyl N-[3-ethoxy-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate
CID 107255414
tert-butyl (3R)-3-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate
CID 71633325

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1,3-thiazol-2-yl)ethylamino]carbamate?
The IUPAC name of tert-butyl N-[1-(1,3-thiazol-2-yl)ethylamino]carbamate (CID 107237311) is tert-butyl N-[1-(1,3-thiazol-2-yl)ethylamino]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1,3-thiazol-2-yl)ethylamino]carbamate?
The canonical SMILES for tert-butyl N-[1-(1,3-thiazol-2-yl)ethylamino]carbamate is CC(NNC(=O)OC(C)(C)C)c1nccs1.
What is the InChIKey of tert-butyl N-[1-(1,3-thiazol-2-yl)ethylamino]carbamate?
The InChIKey is JJIIRZKVZZUGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-7(8-11-5-6-16-8)12-13-9(14)15-10(2,3)4/h5-7,12H,1-4H3,(H,13,14).
What are the key properties of tert-butyl N-[1-(1,3-thiazol-2-yl)ethylamino]carbamate?
tert-butyl N-[1-(1,3-thiazol-2-yl)ethylamino]carbamate has a molecular weight of 243.33 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1,3-thiazol-2-yl)ethylamino]carbamate is sourced from PubChem (CID 107237311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).