1-methyl-2-thiophen-2-ylindole

C13H11NS — CID 14545207

IUPAC1-methyl-2-thiophen-2-ylindole
SMILESCn1c(-c2cccs2)cc2ccccc21
InChIInChI=1S/C13H11NS/c1-14-11-6-3-2-5-10(11)9-12(14)13-7-4-8-15-13/h2-9H,1H3
InChIKeyWQIXPKGTMKVPAA-UHFFFAOYSA-N
MW213.31 g/mol
LogP3.91
Rot. Bonds1

About 1-methyl-2-thiophen-2-ylindole

1-methyl-2-thiophen-2-ylindole (PubChem CID 14545207) has the molecular formula C13H11NS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-methyl-2-thiophen-2-ylindole.

Molecular Properties

Compound Name1-methyl-2-thiophen-2-ylindole
PubChem CID14545207
Molecular FormulaC13H11NS
Molecular Weight213.31 g/mol
Exact Mass213.06
IUPAC Name1-methyl-2-thiophen-2-ylindole
SMILESCn1c(-c2cccs2)cc2ccccc21
InChIInChI=1S/C13H11NS/c1-14-11-6-3-2-5-10(11)9-12(14)13-7-4-8-15-13/h2-9H,1H3
InChIKeyWQIXPKGTMKVPAA-UHFFFAOYSA-N
XLogP3.91
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-thiophen-2-ylindole?
The IUPAC name of 1-methyl-2-thiophen-2-ylindole (CID 14545207) is 1-methyl-2-thiophen-2-ylindole.
What is the SMILES notation for 1-methyl-2-thiophen-2-ylindole?
The canonical SMILES for 1-methyl-2-thiophen-2-ylindole is Cn1c(-c2cccs2)cc2ccccc21.
What is the InChIKey of 1-methyl-2-thiophen-2-ylindole?
The InChIKey is WQIXPKGTMKVPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NS/c1-14-11-6-3-2-5-10(11)9-12(14)13-7-4-8-15-13/h2-9H,1H3.
What are the key properties of 1-methyl-2-thiophen-2-ylindole?
1-methyl-2-thiophen-2-ylindole has a molecular weight of 213.31 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-thiophen-2-ylindole is sourced from PubChem (CID 14545207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).