tert-butyl N-[2-(1,3-thiazol-2-ylamino)ethyl]carbamate

C10H17N3O2S — CID 115595638

IUPACtert-butyl N-[2-(1,3-thiazol-2-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1nccs1
InChIInChI=1S/C10H17N3O2S/c1-10(2,3)15-9(14)13-5-4-11-8-12-6-7-16-8/h6-7H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyAFYXVXYSJZYBHW-UHFFFAOYSA-N
MW243.33 g/mol
LogP2.08
Rot. Bonds4

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

tert-butyl N-[2-(1,3-thiazol-2-ylamino)ethyl]carbamate (PubChem CID 115595638) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is tert-butyl N-[2-(1,3-thiazol-2-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1,3-thiazol-2-ylamino)ethyl]carbamate
PubChem CID115595638
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Nametert-butyl N-[2-(1,3-thiazol-2-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1nccs1
InChIInChI=1S/C10H17N3O2S/c1-10(2,3)15-9(14)13-5-4-11-8-12-6-7-16-8/h6-7H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyAFYXVXYSJZYBHW-UHFFFAOYSA-N
XLogP2.08
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]carbamate
CID 114518206
methyl 3-(1,3-thiazol-2-ylamino)propanoate
CID 60658875
tert-butyl N-[3-hydroxy-3-(1,3-thiazol-2-yl)propyl]carbamate
CID 70144327
tert-butyl N-[3-(1,3-thiazol-2-yl)prop-2-enyl]carbamate
CID 169466870
tert-butyl N-[5-(methoxyamino)-6-oxo-6-(1,3-thiazol-2-ylamino)hexyl]carbamate
CID 57081685
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-1,3-thiazole-5-carboxylic acid
CID 87648198
N-(2-acetamidoethyl)-2-(1,3-thiazol-2-ylamino)acetamide
CID 110694057
tert-butyl N-[[4-[(1,3-thiazol-2-ylmethylamino)methyl]phenyl]methyl]carbamate
CID 107244277
tert-butyl N-[2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]carbamate
CID 102771164
tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]carbamate
CID 103390074
tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
CID 96537570
tert-butyl N-[3-(1,2,4-thiadiazol-5-ylamino)propyl]carbamate
CID 115777406

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1,3-thiazol-2-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1,3-thiazol-2-ylamino)ethyl]carbamate (CID 115595638) is tert-butyl N-[2-(1,3-thiazol-2-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1,3-thiazol-2-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1,3-thiazol-2-ylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCCNc1nccs1.
What is the InChIKey of tert-butyl N-[2-(1,3-thiazol-2-ylamino)ethyl]carbamate?
The InChIKey is AFYXVXYSJZYBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-10(2,3)15-9(14)13-5-4-11-8-12-6-7-16-8/h6-7H,4-5H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of tert-butyl N-[2-(1,3-thiazol-2-ylamino)ethyl]carbamate?
tert-butyl N-[2-(1,3-thiazol-2-ylamino)ethyl]carbamate has a molecular weight of 243.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1,3-thiazol-2-ylamino)ethyl]carbamate is sourced from PubChem (CID 115595638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).