ethyl 5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]-1H-indole-2-carboxylate

C23H22N2O3S — CID 22676745

IUPACethyl 5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(OCCc3nc(-c4ccccc4)sc3C)ccc2[nH]1
InChIInChI=1S/C23H22N2O3S/c1-3-27-23(26)21-14-17-13-18(9-10-20(17)24-21)28-12-11-19-15(2)29-22(25-19)16-7-5-4-6-8-16/h4-10,13-14,24H,3,11-12H2,1-2H3
InChIKeyRLLRFHAMYURNKV-UHFFFAOYSA-N
MW406.51 g/mol
LogP5.40
Rot. Bonds7

About ethyl 5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]-1H-indole-2-carboxylate

ethyl 5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]-1H-indole-2-carboxylate (PubChem CID 22676745) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is ethyl 5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]-1H-indole-2-carboxylate
PubChem CID22676745
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Nameethyl 5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(OCCc3nc(-c4ccccc4)sc3C)ccc2[nH]1
InChIInChI=1S/C23H22N2O3S/c1-3-27-23(26)21-14-17-13-18(9-10-20(17)24-21)28-12-11-19-15(2)29-22(25-19)16-7-5-4-6-8-16/h4-10,13-14,24H,3,11-12H2,1-2H3
InChIKeyRLLRFHAMYURNKV-UHFFFAOYSA-N
XLogP5.40
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]-1H-indole-2-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-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]-1H-indole-2-carboxylate (CID 22676745) is ethyl 5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(OCCc3nc(-c4ccccc4)sc3C)ccc2[nH]1.
What is the InChIKey of ethyl 5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]-1H-indole-2-carboxylate?
The InChIKey is RLLRFHAMYURNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-3-27-23(26)21-14-17-13-18(9-10-20(17)24-21)28-12-11-19-15(2)29-22(25-19)16-7-5-4-6-8-16/h4-10,13-14,24H,3,11-12H2,1-2H3.
What are the key properties of ethyl 5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]-1H-indole-2-carboxylate?
ethyl 5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]-1H-indole-2-carboxylate has a molecular weight of 406.51 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]-1H-indole-2-carboxylate is sourced from PubChem (CID 22676745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).