ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate

C16H16N2O2S — CID 58102325

IUPACethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(C)ccc2n1Cc1nccs1
InChIInChI=1S/C16H16N2O2S/c1-3-20-16(19)14-9-12-8-11(2)4-5-13(12)18(14)10-15-17-6-7-21-15/h4-9H,3,10H2,1-2H3
InChIKeyYUXAOZPPKGDDTL-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.63
Rot. Bonds4

About ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate

ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate (PubChem CID 58102325) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate
PubChem CID58102325
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Nameethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(C)ccc2n1Cc1nccs1
InChIInChI=1S/C16H16N2O2S/c1-3-20-16(19)14-9-12-8-11(2)4-5-13(12)18(14)10-15-17-6-7-21-15/h4-9H,3,10H2,1-2H3
InChIKeyYUXAOZPPKGDDTL-UHFFFAOYSA-N
XLogP3.63
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)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

Related Compounds

CID 156805892
CID 156805892
CID 651808
CID 651808
CID 2091642
CID 2091642
CID 2203061
CID 2203061
CID 52942139
CID 52942139
CID 52945829
CID 52945829
CID 162650211
CID 162650211
CID 648405
CID 648405
CID 650283
CID 650283
CID 16019649
CID 16019649
CID 16011097
CID 16011097
CID 57523304
CID 57523304

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate?
The IUPAC name of ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate (CID 58102325) is ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate.
What is the SMILES notation for ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate?
The canonical SMILES for ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate is CCOC(=O)c1cc2cc(C)ccc2n1Cc1nccs1.
What is the InChIKey of ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate?
The InChIKey is YUXAOZPPKGDDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-3-20-16(19)14-9-12-8-11(2)4-5-13(12)18(14)10-15-17-6-7-21-15/h4-9H,3,10H2,1-2H3.
What are the key properties of ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate?
ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate has a molecular weight of 300.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate is sourced from PubChem (CID 58102325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).