ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate

C12H21N3O2S — CID 28815592

IUPACethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCCCN(CC)c1nc(N)sc1C(=O)OCC
InChIInChI=1S/C12H21N3O2S/c1-4-7-8-15(5-2)10-9(11(16)17-6-3)18-12(13)14-10/h4-8H2,1-3H3,(H2,13,14)
InChIKeyLXFBWUNZSSZFDU-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.53
Rot. Bonds7

About ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate

ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 28815592) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID28815592
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Nameethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCCCN(CC)c1nc(N)sc1C(=O)OCC
InChIInChI=1S/C12H21N3O2S/c1-4-7-8-15(5-2)10-9(11(16)17-6-3)18-12(13)14-10/h4-8H2,1-3H3,(H2,13,14)
InChIKeyLXFBWUNZSSZFDU-UHFFFAOYSA-N
XLogP2.53
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-amino-4-[butyl(ethyl)amino]-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-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate (CID 28815592) is ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate is CCCCN(CC)c1nc(N)sc1C(=O)OCC.
What is the InChIKey of ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is LXFBWUNZSSZFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-7-8-15(5-2)10-9(11(16)17-6-3)18-12(13)14-10/h4-8H2,1-3H3,(H2,13,14).
What are the key properties of ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate?
ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 271.39 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 28815592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).