2-(5-methylthiophen-2-yl)-5-propan-2-yl-2,3-dihydro-1H-indole

C16H19NS — CID 4000551

IUPAC2-(5-methylthiophen-2-yl)-5-propan-2-yl-2,3-dihydro-1H-indole
SMILESCc1ccc(C2Cc3cc(C(C)C)ccc3N2)s1
InChIInChI=1S/C16H19NS/c1-10(2)12-5-6-14-13(8-12)9-15(17-14)16-7-4-11(3)18-16/h4-8,10,15,17H,9H2,1-3H3
InChIKeyKLHQWHIAOVNKJG-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.89
Rot. Bonds2

About 2-(5-methylthiophen-2-yl)-5-propan-2-yl-2,3-dihydro-1H-indole

2-(5-methylthiophen-2-yl)-5-propan-2-yl-2,3-dihydro-1H-indole (PubChem CID 4000551) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-5-propan-2-yl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-5-propan-2-yl-2,3-dihydro-1H-indole
PubChem CID4000551
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name2-(5-methylthiophen-2-yl)-5-propan-2-yl-2,3-dihydro-1H-indole
SMILESCc1ccc(C2Cc3cc(C(C)C)ccc3N2)s1
InChIInChI=1S/C16H19NS/c1-10(2)12-5-6-14-13(8-12)9-15(17-14)16-7-4-11(3)18-16/h4-8,10,15,17H,9H2,1-3H3
InChIKeyKLHQWHIAOVNKJG-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole
CID 3533032
2-(3-methylphenyl)-5-propan-2-yl-2,3-dihydro-1H-indole
CID 3435203
5-butan-2-yl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 3520254
7-methyl-2-(5-methylthiophen-2-yl)-2,3-dihydro-1H-indole
CID 4646871
5-tert-butyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 5176220
2-(4-tert-butylphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 10807358
(2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 7047714
(2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 7047713
2-methyl-7-propan-2-yl-4H-indeno[2,1-b]thiophene
CID 70851633
2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-indole
CID 4018143
5-butan-2-yl-2-pyridin-2-yl-2,3-dihydro-1H-indole
CID 3531352
3-methyl-7-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazine
CID 84620973

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-5-propan-2-yl-2,3-dihydro-1H-indole?
The IUPAC name of 2-(5-methylthiophen-2-yl)-5-propan-2-yl-2,3-dihydro-1H-indole (CID 4000551) is 2-(5-methylthiophen-2-yl)-5-propan-2-yl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-5-propan-2-yl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-5-propan-2-yl-2,3-dihydro-1H-indole is Cc1ccc(C2Cc3cc(C(C)C)ccc3N2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-5-propan-2-yl-2,3-dihydro-1H-indole?
The InChIKey is KLHQWHIAOVNKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-10(2)12-5-6-14-13(8-12)9-15(17-14)16-7-4-11(3)18-16/h4-8,10,15,17H,9H2,1-3H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-5-propan-2-yl-2,3-dihydro-1H-indole?
2-(5-methylthiophen-2-yl)-5-propan-2-yl-2,3-dihydro-1H-indole has a molecular weight of 257.40 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-5-propan-2-yl-2,3-dihydro-1H-indole is sourced from PubChem (CID 4000551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).