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

C9H15N3O2S — CID 56649221

IUPACtert-butyl N-[(2-amino-1,3-thiazol-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1csc(N)n1
InChIInChI=1S/C9H15N3O2S/c1-9(2,3)14-8(13)11-4-6-5-15-7(10)12-6/h5H,4H2,1-3H3,(H2,10,12)(H,11,13)
InChIKeyCCJFGPYIZZOZSC-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.75
Rot. Bonds2

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

tert-butyl N-[(2-amino-1,3-thiazol-4-yl)methyl]carbamate (PubChem CID 56649221) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is tert-butyl N-[(2-amino-1,3-thiazol-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-amino-1,3-thiazol-4-yl)methyl]carbamate
PubChem CID56649221
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Nametert-butyl N-[(2-amino-1,3-thiazol-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1csc(N)n1
InChIInChI=1S/C9H15N3O2S/c1-9(2,3)14-8(13)11-4-6-5-15-7(10)12-6/h5H,4H2,1-3H3,(H2,10,12)(H,11,13)
InChIKeyCCJFGPYIZZOZSC-UHFFFAOYSA-N
XLogP1.75
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-amino-1,3-thiazol-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(2-amino-1,3-thiazol-4-yl)methyl]carbamate (CID 56649221) is tert-butyl N-[(2-amino-1,3-thiazol-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-amino-1,3-thiazol-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2-amino-1,3-thiazol-4-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1csc(N)n1.
What is the InChIKey of tert-butyl N-[(2-amino-1,3-thiazol-4-yl)methyl]carbamate?
The InChIKey is CCJFGPYIZZOZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-9(2,3)14-8(13)11-4-6-5-15-7(10)12-6/h5H,4H2,1-3H3,(H2,10,12)(H,11,13).
What are the key properties of tert-butyl N-[(2-amino-1,3-thiazol-4-yl)methyl]carbamate?
tert-butyl N-[(2-amino-1,3-thiazol-4-yl)methyl]carbamate has a molecular weight of 229.30 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-amino-1,3-thiazol-4-yl)methyl]carbamate is sourced from PubChem (CID 56649221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).