tert-butyl 2-(2-amino-1,3-thiazol-5-yl)acetate

C9H14N2O2S — CID 133058846

IUPACtert-butyl 2-(2-amino-1,3-thiazol-5-yl)acetate
SMILESCC(C)(C)OC(=O)Cc1cnc(N)s1
InChIInChI=1S/C9H14N2O2S/c1-9(2,3)13-7(12)4-6-5-11-8(10)14-6/h5H,4H2,1-3H3,(H2,10,11)
InChIKeyNOQSDVONAGPPBE-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.61
Rot. Bonds2

About tert-butyl 2-(2-amino-1,3-thiazol-5-yl)acetate

tert-butyl 2-(2-amino-1,3-thiazol-5-yl)acetate (PubChem CID 133058846) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is tert-butyl 2-(2-amino-1,3-thiazol-5-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-amino-1,3-thiazol-5-yl)acetate
PubChem CID133058846
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Nametert-butyl 2-(2-amino-1,3-thiazol-5-yl)acetate
SMILESCC(C)(C)OC(=O)Cc1cnc(N)s1
InChIInChI=1S/C9H14N2O2S/c1-9(2,3)13-7(12)4-6-5-11-8(10)14-6/h5H,4H2,1-3H3,(H2,10,11)
InChIKeyNOQSDVONAGPPBE-UHFFFAOYSA-N
XLogP1.61
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-(2-amino-1,3-thiazol-5-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-amino-1,3-thiazol-5-yl)acetic acid;methoxymethane
CID 126619372
2-(2-amino-1,3-thiazol-5-yl)-N-methylacetamide
CID 43840159
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]acetate
CID 22349665
tert-butyl N-[3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-methylphenyl]carbamate;methane
CID 156752068
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-5-yl]acetic acid
CID 71744301
tert-butyl 2-(5-acetyl-1,3-thiazol-2-yl)acetate
CID 158284808
tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 2-(1,3-thiazol-2-yl)acetate;1,3-thiazol-2-amine
CID 159774779
tert-butyl 2-(6-amino-4-ethyl-3-pyridinyl)acetate
CID 131734298
methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate
CID 79774327
ethyl 2-(2-tert-butyl-1,3-thiazol-5-yl)acetate
CID 58560957
tert-butyl N-[5-(2-aminoethyl)-1,3-thiazol-2-yl]carbamate;tert-butyl N-(5-propyl-1,3-thiazol-2-yl)carbamate;5-propyl-1,3-thiazol-2-amine;hydrobromide
CID 157072375
tert-butyl 2-(5-hydroxypyrimidin-2-yl)acetate
CID 133062944

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-amino-1,3-thiazol-5-yl)acetate?
The IUPAC name of tert-butyl 2-(2-amino-1,3-thiazol-5-yl)acetate (CID 133058846) is tert-butyl 2-(2-amino-1,3-thiazol-5-yl)acetate.
What is the SMILES notation for tert-butyl 2-(2-amino-1,3-thiazol-5-yl)acetate?
The canonical SMILES for tert-butyl 2-(2-amino-1,3-thiazol-5-yl)acetate is CC(C)(C)OC(=O)Cc1cnc(N)s1.
What is the InChIKey of tert-butyl 2-(2-amino-1,3-thiazol-5-yl)acetate?
The InChIKey is NOQSDVONAGPPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-9(2,3)13-7(12)4-6-5-11-8(10)14-6/h5H,4H2,1-3H3,(H2,10,11).
What are the key properties of tert-butyl 2-(2-amino-1,3-thiazol-5-yl)acetate?
tert-butyl 2-(2-amino-1,3-thiazol-5-yl)acetate has a molecular weight of 214.29 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-amino-1,3-thiazol-5-yl)acetate is sourced from PubChem (CID 133058846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).