1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-thiophen-3-ylethanone

C15H16N2OS — CID 43550096

IUPAC1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-thiophen-3-ylethanone
SMILESCC1Cc2cc(N)ccc2N1C(=O)Cc1ccsc1
InChIInChI=1S/C15H16N2OS/c1-10-6-12-8-13(16)2-3-14(12)17(10)15(18)7-11-4-5-19-9-11/h2-5,8-10H,6-7,16H2,1H3
InChIKeyGZYGRDZEWSYVHU-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.85
Rot. Bonds2

About 1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-thiophen-3-ylethanone

1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-thiophen-3-ylethanone (PubChem CID 43550096) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-thiophen-3-ylethanone
PubChem CID43550096
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-thiophen-3-ylethanone
SMILESCC1Cc2cc(N)ccc2N1C(=O)Cc1ccsc1
InChIInChI=1S/C15H16N2OS/c1-10-6-12-8-13(16)2-3-14(12)17(10)15(18)7-11-4-5-19-9-11/h2-5,8-10H,6-7,16H2,1H3
InChIKeyGZYGRDZEWSYVHU-UHFFFAOYSA-N
XLogP2.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-thiophen-2-ylethanone
CID 43550152
1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenyl)ethanone
CID 43550125
5-amino-2-methyl-2,3-dihydroindole-1-carboxamide
CID 43551503
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-ethylthiophen-2-yl)methanone
CID 79985768
1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)octan-1-one
CID 43550092
[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 55450124
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,6-dimethylphenyl)methanone
CID 107999893
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methylcyclopentyl)methanone
CID 107174842
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone
CID 79152708
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone
CID 43550187
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62278189
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone
CID 43550159

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-thiophen-3-ylethanone (CID 43550096) is 1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-thiophen-3-ylethanone is CC1Cc2cc(N)ccc2N1C(=O)Cc1ccsc1.
What is the InChIKey of 1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-thiophen-3-ylethanone?
The InChIKey is GZYGRDZEWSYVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-10-6-12-8-13(16)2-3-14(12)17(10)15(18)7-11-4-5-19-9-11/h2-5,8-10H,6-7,16H2,1H3.
What are the key properties of 1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-thiophen-3-ylethanone?
1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-thiophen-3-ylethanone has a molecular weight of 272.37 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 43550096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).