tert-butyl 5-amino-1,2-thiazole-3-carboxylate

C8H12N2O2S — CID 121232200

IUPACtert-butyl 5-amino-1,2-thiazole-3-carboxylate
SMILESCC(C)(C)OC(=O)c1cc(N)sn1
InChIInChI=1S/C8H12N2O2S/c1-8(2,3)12-7(11)5-4-6(9)13-10-5/h4H,9H2,1-3H3
InChIKeyWNGVXFQHLMBNGY-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.68
Rot. Bonds1

About tert-butyl 5-amino-1,2-thiazole-3-carboxylate

tert-butyl 5-amino-1,2-thiazole-3-carboxylate (PubChem CID 121232200) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is tert-butyl 5-amino-1,2-thiazole-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-amino-1,2-thiazole-3-carboxylate
PubChem CID121232200
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Nametert-butyl 5-amino-1,2-thiazole-3-carboxylate
SMILESCC(C)(C)OC(=O)c1cc(N)sn1
InChIInChI=1S/C8H12N2O2S/c1-8(2,3)12-7(11)5-4-6(9)13-10-5/h4H,9H2,1-3H3
InChIKeyWNGVXFQHLMBNGY-UHFFFAOYSA-N
XLogP1.68
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 5-aminoisothiazole-3-carboxylate
CID 53302115
Ethyl 5-isocyanato-1,2-thiazole-3-carboxylate
CID 23062278
Methyl 5-isocyanato-1,2-thiazole-3-carboxylate
CID 23062291
5-Aminoisothiazole-3-carboxylic acid
CID 57149584
Ethyl 5-aminoisothiazole-3-carboxylate
CID 117215197
Propan-2-yl 5-amino-1,2-thiazole-3-carboxylate
CID 117215200
Methyl 5-amino-1,2-thiazole-3-carboxylate hydrochloride
CID 165725630

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-amino-1,2-thiazole-3-carboxylate?
The IUPAC name of tert-butyl 5-amino-1,2-thiazole-3-carboxylate (CID 121232200) is tert-butyl 5-amino-1,2-thiazole-3-carboxylate.
What is the SMILES notation for tert-butyl 5-amino-1,2-thiazole-3-carboxylate?
The canonical SMILES for tert-butyl 5-amino-1,2-thiazole-3-carboxylate is CC(C)(C)OC(=O)c1cc(N)sn1.
What is the InChIKey of tert-butyl 5-amino-1,2-thiazole-3-carboxylate?
The InChIKey is WNGVXFQHLMBNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-8(2,3)12-7(11)5-4-6(9)13-10-5/h4H,9H2,1-3H3.
What are the key properties of tert-butyl 5-amino-1,2-thiazole-3-carboxylate?
tert-butyl 5-amino-1,2-thiazole-3-carboxylate has a molecular weight of 200.26 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-amino-1,2-thiazole-3-carboxylate is sourced from PubChem (CID 121232200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).