methyl 3-(5-cyano-1H-indol-3-yl)thiophene-2-carboxylate

C15H10N2O2S — CID 135380587

IUPACmethyl 3-(5-cyano-1H-indol-3-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-c1c[nH]c2ccc(C#N)cc12
InChIInChI=1S/C15H10N2O2S/c1-19-15(18)14-10(4-5-20-14)12-8-17-13-3-2-9(7-16)6-11(12)13/h2-6,8,17H,1H3
InChIKeyXPFSTYUJIGAPGR-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.55
Rot. Bonds2

About methyl 3-(5-cyano-1H-indol-3-yl)thiophene-2-carboxylate

methyl 3-(5-cyano-1H-indol-3-yl)thiophene-2-carboxylate (PubChem CID 135380587) has the molecular formula C15H10N2O2S and a molecular weight of 282.32 g/mol. Its IUPAC name is methyl 3-(5-cyano-1H-indol-3-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(5-cyano-1H-indol-3-yl)thiophene-2-carboxylate
PubChem CID135380587
Molecular FormulaC15H10N2O2S
Molecular Weight282.32 g/mol
Exact Mass282.05
IUPAC Namemethyl 3-(5-cyano-1H-indol-3-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-c1c[nH]c2ccc(C#N)cc12
InChIInChI=1S/C15H10N2O2S/c1-19-15(18)14-10(4-5-20-14)12-8-17-13-3-2-9(7-16)6-11(12)13/h2-6,8,17H,1H3
InChIKeyXPFSTYUJIGAPGR-UHFFFAOYSA-N
XLogP3.55
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(5-cyano-1H-indol-3-yl)thiophene-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

[2-[2-(1H-indol-3-yl)ethyl]-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] thiophene-2-carboxylate
CID 16745596
2,2,2-trifluoroethyl 6-(thiophen-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 52942139
tert-butyl 6-(thiophen-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 52945829
ethyl 4-[4-[1-(5-cyano-1H-indol-3-yl)-7-fluoro-3-thiophen-3-yl-1H-isoquinolin-2-yl]phenyl]-2-fluorobenzoate
CID 53301480
methyl 2-(2-(1H-indol-7-yl)acetamido)-4-methylthiophene-3-carboxylate
CID 53319945
methyl 3-(1H-indol-3-yl)-2-[(2-thienylcarbonyl)amino]propanoate
CID 2728149
methyl 3-(1H-indol-3-ylmethyl)-1H-indole-5-carboxylate
CID 137656606
5-(3-Cyano-1-propan-2-ylindol-5-yl)thiophene-2-carboxylic acid
CID 51353127
4-(3-Cyano-5-thiophen-2-ylindol-1-yl)benzoic acid
CID 58437368
Methyl 3-methyl-1H-indole-5-carboxylate
CID 23383527
methyl 3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1H-indole-5-carboxylate;hydrochloride
CID 49860953
Methyl 1-methyl-5-thiophen-3-ylindole-3-carboxylate
CID 164612693

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-cyano-1H-indol-3-yl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(5-cyano-1H-indol-3-yl)thiophene-2-carboxylate (CID 135380587) is methyl 3-(5-cyano-1H-indol-3-yl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(5-cyano-1H-indol-3-yl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(5-cyano-1H-indol-3-yl)thiophene-2-carboxylate is COC(=O)c1sccc1-c1c[nH]c2ccc(C#N)cc12.
What is the InChIKey of methyl 3-(5-cyano-1H-indol-3-yl)thiophene-2-carboxylate?
The InChIKey is XPFSTYUJIGAPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2S/c1-19-15(18)14-10(4-5-20-14)12-8-17-13-3-2-9(7-16)6-11(12)13/h2-6,8,17H,1H3.
What are the key properties of methyl 3-(5-cyano-1H-indol-3-yl)thiophene-2-carboxylate?
methyl 3-(5-cyano-1H-indol-3-yl)thiophene-2-carboxylate has a molecular weight of 282.32 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-cyano-1H-indol-3-yl)thiophene-2-carboxylate is sourced from PubChem (CID 135380587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).