methyl 5-(2-methylindol-1-yl)thiophene-2-carboxylate

C15H13NO2S — CID 45106373

IUPACmethyl 5-(2-methylindol-1-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-n2c(C)cc3ccccc32)s1
InChIInChI=1S/C15H13NO2S/c1-10-9-11-5-3-4-6-12(11)16(10)14-8-7-13(19-14)15(17)18-2/h3-9H,1-2H3
InChIKeyKIMWOPBWWKGARZ-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.79
Rot. Bonds2

About methyl 5-(2-methylindol-1-yl)thiophene-2-carboxylate

methyl 5-(2-methylindol-1-yl)thiophene-2-carboxylate (PubChem CID 45106373) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is methyl 5-(2-methylindol-1-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-methylindol-1-yl)thiophene-2-carboxylate
PubChem CID45106373
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Namemethyl 5-(2-methylindol-1-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-n2c(C)cc3ccccc32)s1
InChIInChI=1S/C15H13NO2S/c1-10-9-11-5-3-4-6-12(11)16(10)14-8-7-13(19-14)15(17)18-2/h3-9H,1-2H3
InChIKeyKIMWOPBWWKGARZ-UHFFFAOYSA-N
XLogP3.79
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-methylindol-1-yl)thiophene-2-carboxylate?
The IUPAC name of methyl 5-(2-methylindol-1-yl)thiophene-2-carboxylate (CID 45106373) is methyl 5-(2-methylindol-1-yl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(2-methylindol-1-yl)thiophene-2-carboxylate?
The canonical SMILES for methyl 5-(2-methylindol-1-yl)thiophene-2-carboxylate is COC(=O)c1ccc(-n2c(C)cc3ccccc32)s1.
What is the InChIKey of methyl 5-(2-methylindol-1-yl)thiophene-2-carboxylate?
The InChIKey is KIMWOPBWWKGARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-10-9-11-5-3-4-6-12(11)16(10)14-8-7-13(19-14)15(17)18-2/h3-9H,1-2H3.
What are the key properties of methyl 5-(2-methylindol-1-yl)thiophene-2-carboxylate?
methyl 5-(2-methylindol-1-yl)thiophene-2-carboxylate has a molecular weight of 271.34 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-methylindol-1-yl)thiophene-2-carboxylate is sourced from PubChem (CID 45106373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).