ethyl 5-amino-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate

C12H16N4O2S — CID 63240207

IUPACethyl 5-amino-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(CCc2nc(C)cs2)c1N
InChIInChI=1S/C12H16N4O2S/c1-3-18-12(17)10-11(13)16(7-14-10)5-4-9-15-8(2)6-19-9/h6-7H,3-5,13H2,1-2H3
InChIKeyXEHZIRRCXNXYMB-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.65
Rot. Bonds5

About ethyl 5-amino-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate

ethyl 5-amino-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate (PubChem CID 63240207) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is ethyl 5-amino-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate
PubChem CID63240207
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Nameethyl 5-amino-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(CCc2nc(C)cs2)c1N
InChIInChI=1S/C12H16N4O2S/c1-3-18-12(17)10-11(13)16(7-14-10)5-4-9-15-8(2)6-19-9/h6-7H,3-5,13H2,1-2H3
InChIKeyXEHZIRRCXNXYMB-UHFFFAOYSA-N
XLogP1.65
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-amino-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazole-4-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 5-amino-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate (CID 63240207) is ethyl 5-amino-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate is CCOC(=O)c1ncn(CCc2nc(C)cs2)c1N.
What is the InChIKey of ethyl 5-amino-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate?
The InChIKey is XEHZIRRCXNXYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-3-18-12(17)10-11(13)16(7-14-10)5-4-9-15-8(2)6-19-9/h6-7H,3-5,13H2,1-2H3.
What are the key properties of ethyl 5-amino-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate?
ethyl 5-amino-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate has a molecular weight of 280.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate is sourced from PubChem (CID 63240207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).