ethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate

C10H16N2O2S — CID 824452

IUPACethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1C(C)(C)C
InChIInChI=1S/C10H16N2O2S/c1-5-14-8(13)6-7(10(2,3)4)12-9(11)15-6/h5H2,1-4H3,(H2,11,12)
InChIKeyFHWBJUACHJHCLH-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.20
Rot. Bonds2

About ethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate

ethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate (PubChem CID 824452) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is ethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate
PubChem CID824452
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Nameethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1C(C)(C)C
InChIInChI=1S/C10H16N2O2S/c1-5-14-8(13)6-7(10(2,3)4)12-9(11)15-6/h5H2,1-4H3,(H2,11,12)
InChIKeyFHWBJUACHJHCLH-UHFFFAOYSA-N
XLogP2.20
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate (CID 824452) is ethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N)nc1C(C)(C)C.
What is the InChIKey of ethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate?
The InChIKey is FHWBJUACHJHCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-5-14-8(13)6-7(10(2,3)4)12-9(11)15-6/h5H2,1-4H3,(H2,11,12).
What are the key properties of ethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate?
ethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate has a molecular weight of 228.32 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 824452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).