tert-butyl N-[(1S)-1-(2-amino-1,3-thiazol-4-yl)ethyl]carbamate

C10H17N3O2S — CID 155821223

IUPACtert-butyl N-[(1S)-1-(2-amino-1,3-thiazol-4-yl)ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1csc(N)n1
InChIInChI=1S/C10H17N3O2S/c1-6(7-5-16-8(11)13-7)12-9(14)15-10(2,3)4/h5-6H,1-4H3,(H2,11,13)(H,12,14)/t6-/m0/s1
InChIKeyMIXJDGAORYUTQU-LURJTMIESA-N
MW243.33 g/mol
LogP2.31
Rot. Bonds2

About tert-butyl N-[(1S)-1-(2-amino-1,3-thiazol-4-yl)ethyl]carbamate

tert-butyl N-[(1S)-1-(2-amino-1,3-thiazol-4-yl)ethyl]carbamate (PubChem CID 155821223) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(2-amino-1,3-thiazol-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(2-amino-1,3-thiazol-4-yl)ethyl]carbamate
PubChem CID155821223
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Nametert-butyl N-[(1S)-1-(2-amino-1,3-thiazol-4-yl)ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1csc(N)n1
InChIInChI=1S/C10H17N3O2S/c1-6(7-5-16-8(11)13-7)12-9(14)15-10(2,3)4/h5-6H,1-4H3,(H2,11,13)(H,12,14)/t6-/m0/s1
InChIKeyMIXJDGAORYUTQU-LURJTMIESA-N
XLogP2.31
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(2-amino-1,3-thiazol-4-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(2-amino-1,3-thiazol-4-yl)ethyl]carbamate (CID 155821223) is tert-butyl N-[(1S)-1-(2-amino-1,3-thiazol-4-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(2-amino-1,3-thiazol-4-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(2-amino-1,3-thiazol-4-yl)ethyl]carbamate is C[C@H](NC(=O)OC(C)(C)C)c1csc(N)n1.
What is the InChIKey of tert-butyl N-[(1S)-1-(2-amino-1,3-thiazol-4-yl)ethyl]carbamate?
The InChIKey is MIXJDGAORYUTQU-LURJTMIESA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-6(7-5-16-8(11)13-7)12-9(14)15-10(2,3)4/h5-6H,1-4H3,(H2,11,13)(H,12,14)/t6-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(2-amino-1,3-thiazol-4-yl)ethyl]carbamate?
tert-butyl N-[(1S)-1-(2-amino-1,3-thiazol-4-yl)ethyl]carbamate has a molecular weight of 243.33 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(2-amino-1,3-thiazol-4-yl)ethyl]carbamate is sourced from PubChem (CID 155821223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).