2-(2,5-dimethylthiophen-3-yl)-6,7-dimethyl-2,3-dihydro-1H-indole

C16H19NS — CID 4540969

IUPAC2-(2,5-dimethylthiophen-3-yl)-6,7-dimethyl-2,3-dihydro-1H-indole
SMILESCc1cc(C2Cc3ccc(C)c(C)c3N2)c(C)s1
InChIInChI=1S/C16H19NS/c1-9-5-6-13-8-15(17-16(13)11(9)3)14-7-10(2)18-12(14)4/h5-7,15,17H,8H2,1-4H3
InChIKeyJQWJFXGVAOFUOX-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.69
Rot. Bonds1

About 2-(2,5-dimethylthiophen-3-yl)-6,7-dimethyl-2,3-dihydro-1H-indole

2-(2,5-dimethylthiophen-3-yl)-6,7-dimethyl-2,3-dihydro-1H-indole (PubChem CID 4540969) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-(2,5-dimethylthiophen-3-yl)-6,7-dimethyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(2,5-dimethylthiophen-3-yl)-6,7-dimethyl-2,3-dihydro-1H-indole
PubChem CID4540969
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name2-(2,5-dimethylthiophen-3-yl)-6,7-dimethyl-2,3-dihydro-1H-indole
SMILESCc1cc(C2Cc3ccc(C)c(C)c3N2)c(C)s1
InChIInChI=1S/C16H19NS/c1-9-5-6-13-8-15(17-16(13)11(9)3)14-7-10(2)18-12(14)4/h5-7,15,17H,8H2,1-4H3
InChIKeyJQWJFXGVAOFUOX-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-6,7-dimethyl-2,3-dihydro-1H-indole?
The IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-6,7-dimethyl-2,3-dihydro-1H-indole (CID 4540969) is 2-(2,5-dimethylthiophen-3-yl)-6,7-dimethyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(2,5-dimethylthiophen-3-yl)-6,7-dimethyl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(2,5-dimethylthiophen-3-yl)-6,7-dimethyl-2,3-dihydro-1H-indole is Cc1cc(C2Cc3ccc(C)c(C)c3N2)c(C)s1.
What is the InChIKey of 2-(2,5-dimethylthiophen-3-yl)-6,7-dimethyl-2,3-dihydro-1H-indole?
The InChIKey is JQWJFXGVAOFUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-9-5-6-13-8-15(17-16(13)11(9)3)14-7-10(2)18-12(14)4/h5-7,15,17H,8H2,1-4H3.
What are the key properties of 2-(2,5-dimethylthiophen-3-yl)-6,7-dimethyl-2,3-dihydro-1H-indole?
2-(2,5-dimethylthiophen-3-yl)-6,7-dimethyl-2,3-dihydro-1H-indole has a molecular weight of 257.40 g/mol, XLogP of 4.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylthiophen-3-yl)-6,7-dimethyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 4540969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).