methyl 3-(1H-indol-6-yl)thiophene-2-carboxylate

C14H11NO2S — CID 135054754

IUPACmethyl 3-(1H-indol-6-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-c1ccc2cc[nH]c2c1
InChIInChI=1S/C14H11NO2S/c1-17-14(16)13-11(5-7-18-13)10-3-2-9-4-6-15-12(9)8-10/h2-8,15H,1H3
InChIKeyKLMAVQCKSDQUSW-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.68
Rot. Bonds2

About methyl 3-(1H-indol-6-yl)thiophene-2-carboxylate

methyl 3-(1H-indol-6-yl)thiophene-2-carboxylate (PubChem CID 135054754) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is methyl 3-(1H-indol-6-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1H-indol-6-yl)thiophene-2-carboxylate
PubChem CID135054754
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Namemethyl 3-(1H-indol-6-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-c1ccc2cc[nH]c2c1
InChIInChI=1S/C14H11NO2S/c1-17-14(16)13-11(5-7-18-13)10-3-2-9-4-6-15-12(9)8-10/h2-8,15H,1H3
InChIKeyKLMAVQCKSDQUSW-UHFFFAOYSA-N
XLogP3.68
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl indole-6-carboxylate
CID 639844
methyl 1-{2-oxo-2-[(2-thienylmethyl)amino]ethyl}-1H-indole-3-carboxylate
CID 952050
ethyl 3-(pyridin-4-yl)-1H-indole-6-carboxylate
CID 44410730
Ethyl 2-[2-(1H-indol-3-ylsulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4095436
ethyl 2-(2-((1H-indol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 4178118
ethyl 2-[2-(1H-indol-3-ylsulfanyl)propanamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
CID 4693061
[2-[2-(1H-indol-3-yl)ethyl]-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] thiophene-2-carboxylate
CID 16745596
methyl 2-(2-(1H-indol-7-yl)acetamido)-4-methylthiophene-3-carboxylate
CID 53319945
methyl 2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole-6-carboxylate
CID 155514785
methyl 3-(1H-indol-3-yl)-2-[(2-thienylcarbonyl)amino]propanoate
CID 2728149
US10947222, Example 60
CID 134521977
Methyl 1-(thiophene-2-carbonyl)-1H-indole-3-carboxylate
CID 702931

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1H-indol-6-yl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(1H-indol-6-yl)thiophene-2-carboxylate (CID 135054754) is methyl 3-(1H-indol-6-yl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(1H-indol-6-yl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(1H-indol-6-yl)thiophene-2-carboxylate is COC(=O)c1sccc1-c1ccc2cc[nH]c2c1.
What is the InChIKey of methyl 3-(1H-indol-6-yl)thiophene-2-carboxylate?
The InChIKey is KLMAVQCKSDQUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c1-17-14(16)13-11(5-7-18-13)10-3-2-9-4-6-15-12(9)8-10/h2-8,15H,1H3.
What are the key properties of methyl 3-(1H-indol-6-yl)thiophene-2-carboxylate?
methyl 3-(1H-indol-6-yl)thiophene-2-carboxylate has a molecular weight of 257.31 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1H-indol-6-yl)thiophene-2-carboxylate is sourced from PubChem (CID 135054754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).