tert-butyl N-[2-[1-(1,3-thiazol-4-yl)ethylamino]propyl]carbamate

C13H23N3O2S — CID 107248411

IUPACtert-butyl N-[2-[1-(1,3-thiazol-4-yl)ethylamino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NC(C)c1cscn1
InChIInChI=1S/C13H23N3O2S/c1-9(6-14-12(17)18-13(3,4)5)16-10(2)11-7-19-8-15-11/h7-10,16H,6H2,1-5H3,(H,14,17)
InChIKeyQHOFDFVXYLPSLO-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.71
Rot. Bonds5

About tert-butyl N-[2-[1-(1,3-thiazol-4-yl)ethylamino]propyl]carbamate

tert-butyl N-[2-[1-(1,3-thiazol-4-yl)ethylamino]propyl]carbamate (PubChem CID 107248411) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(1,3-thiazol-4-yl)ethylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(1,3-thiazol-4-yl)ethylamino]propyl]carbamate
PubChem CID107248411
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Nametert-butyl N-[2-[1-(1,3-thiazol-4-yl)ethylamino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NC(C)c1cscn1
InChIInChI=1S/C13H23N3O2S/c1-9(6-14-12(17)18-13(3,4)5)16-10(2)11-7-19-8-15-11/h7-10,16H,6H2,1-5H3,(H,14,17)
InChIKeyQHOFDFVXYLPSLO-UHFFFAOYSA-N
XLogP2.71
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-(1,3-thiazol-4-ylmethylamino)propyl]carbamate
CID 103389967
tert-butyl N-[1-[1-(1,3-thiazol-4-yl)ethylamino]butan-2-yl]carbamate
CID 107250501
tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]carbamate
CID 103390074
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
3-[1-(1,3-thiazol-4-yl)ethylamino]butanamide
CID 115879478
tert-butyl N-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]carbamate
CID 103388764
tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate
CID 103388158
tert-butyl N-[2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propyl]carbamate
CID 103390508
tert-butyl N-[2-[1-(3,5-difluorophenyl)ethylamino]propyl]carbamate
CID 107248584
tert-butyl N-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propyl]carbamate
CID 103390477
tert-butyl N-[2-[1-(3,4-dimethylphenyl)ethylamino]propyl]carbamate
CID 107248220

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(1,3-thiazol-4-yl)ethylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(1,3-thiazol-4-yl)ethylamino]propyl]carbamate (CID 107248411) is tert-butyl N-[2-[1-(1,3-thiazol-4-yl)ethylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(1,3-thiazol-4-yl)ethylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(1,3-thiazol-4-yl)ethylamino]propyl]carbamate is CC(CNC(=O)OC(C)(C)C)NC(C)c1cscn1.
What is the InChIKey of tert-butyl N-[2-[1-(1,3-thiazol-4-yl)ethylamino]propyl]carbamate?
The InChIKey is QHOFDFVXYLPSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-9(6-14-12(17)18-13(3,4)5)16-10(2)11-7-19-8-15-11/h7-10,16H,6H2,1-5H3,(H,14,17).
What are the key properties of tert-butyl N-[2-[1-(1,3-thiazol-4-yl)ethylamino]propyl]carbamate?
tert-butyl N-[2-[1-(1,3-thiazol-4-yl)ethylamino]propyl]carbamate has a molecular weight of 285.41 g/mol, XLogP of 2.71, 5 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-(1,3-thiazol-4-yl)ethylamino]propyl]carbamate is sourced from PubChem (CID 107248411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).