ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-methyl-1,3-thiazole-4-carboxylate

C17H19N3O2S — CID 10568371

IUPACethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc([C@H](N)Cc2c[nH]c3ccccc23)sc1C
InChIInChI=1S/C17H19N3O2S/c1-3-22-17(21)15-10(2)23-16(20-15)13(18)8-11-9-19-14-7-5-4-6-12(11)14/h4-7,9,13,19H,3,8,18H2,1-2H3/t13-/m1/s1
InChIKeyHWEHTJMKQINVQK-CYBMUJFWSA-N
MW329.43 g/mol
LogP3.35
Rot. Bonds5

About ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-methyl-1,3-thiazole-4-carboxylate

ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 10568371) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID10568371
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Nameethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc([C@H](N)Cc2c[nH]c3ccccc23)sc1C
InChIInChI=1S/C17H19N3O2S/c1-3-22-17(21)15-10(2)23-16(20-15)13(18)8-11-9-19-14-7-5-4-6-12(11)14/h4-7,9,13,19H,3,8,18H2,1-2H3/t13-/m1/s1
InChIKeyHWEHTJMKQINVQK-CYBMUJFWSA-N
XLogP3.35
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-methyl-1,3-thiazole-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 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-methyl-1,3-thiazole-4-carboxylate (CID 10568371) is ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-methyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc([C@H](N)Cc2c[nH]c3ccccc23)sc1C.
What is the InChIKey of ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is HWEHTJMKQINVQK-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-3-22-17(21)15-10(2)23-16(20-15)13(18)8-11-9-19-14-7-5-4-6-12(11)14/h4-7,9,13,19H,3,8,18H2,1-2H3/t13-/m1/s1.
What are the key properties of ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-methyl-1,3-thiazole-4-carboxylate?
ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 329.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 10568371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).