ethyl 2-methyl-2-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanoate

C17H18N2O2S — CID 25100140

IUPACethyl 2-methyl-2-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanoate
SMILESCCOC(=O)C(C)(C)c1ccc2[nH]c(-c3nccs3)cc2c1
InChIInChI=1S/C17H18N2O2S/c1-4-21-16(20)17(2,3)12-5-6-13-11(9-12)10-14(19-13)15-18-7-8-22-15/h5-10,19H,4H2,1-3H3
InChIKeySOPQMEKKWIVXND-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.13
Rot. Bonds4

About ethyl 2-methyl-2-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanoate

ethyl 2-methyl-2-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanoate (PubChem CID 25100140) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is ethyl 2-methyl-2-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanoate
PubChem CID25100140
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Nameethyl 2-methyl-2-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanoate
SMILESCCOC(=O)C(C)(C)c1ccc2[nH]c(-c3nccs3)cc2c1
InChIInChI=1S/C17H18N2O2S/c1-4-21-16(20)17(2,3)12-5-6-13-11(9-12)10-14(19-13)15-18-7-8-22-15/h5-10,19H,4H2,1-3H3
InChIKeySOPQMEKKWIVXND-UHFFFAOYSA-N
XLogP4.13
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-methyl-2-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanoate 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-methyl-2-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanoate?
The IUPAC name of ethyl 2-methyl-2-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanoate (CID 25100140) is ethyl 2-methyl-2-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanoate is CCOC(=O)C(C)(C)c1ccc2[nH]c(-c3nccs3)cc2c1.
What is the InChIKey of ethyl 2-methyl-2-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanoate?
The InChIKey is SOPQMEKKWIVXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-4-21-16(20)17(2,3)12-5-6-13-11(9-12)10-14(19-13)15-18-7-8-22-15/h5-10,19H,4H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanoate?
ethyl 2-methyl-2-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanoate has a molecular weight of 314.41 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propanoate is sourced from PubChem (CID 25100140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).