2-methyl-N-(3-methylphenyl)-2,3-dihydroindole-1-carbothioamide

C17H18N2S — CID 19686679

IUPAC2-methyl-N-(3-methylphenyl)-2,3-dihydroindole-1-carbothioamide
SMILESCc1cccc(NC(=S)N2c3ccccc3CC2C)c1
InChIInChI=1S/C17H18N2S/c1-12-6-5-8-15(10-12)18-17(20)19-13(2)11-14-7-3-4-9-16(14)19/h3-10,13H,11H2,1-2H3,(H,18,20)
InChIKeyFTNSTQQXTGOGDH-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.14
Rot. Bonds1

About 2-methyl-N-(3-methylphenyl)-2,3-dihydroindole-1-carbothioamide

2-methyl-N-(3-methylphenyl)-2,3-dihydroindole-1-carbothioamide (PubChem CID 19686679) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-methyl-N-(3-methylphenyl)-2,3-dihydroindole-1-carbothioamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylphenyl)-2,3-dihydroindole-1-carbothioamide
PubChem CID19686679
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name2-methyl-N-(3-methylphenyl)-2,3-dihydroindole-1-carbothioamide
SMILESCc1cccc(NC(=S)N2c3ccccc3CC2C)c1
InChIInChI=1S/C17H18N2S/c1-12-6-5-8-15(10-12)18-17(20)19-13(2)11-14-7-3-4-9-16(14)19/h3-10,13H,11H2,1-2H3,(H,18,20)
InChIKeyFTNSTQQXTGOGDH-UHFFFAOYSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dichlorophenyl)-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 19686698
2-(3-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 55351280
(2R)-N-(2,3-diphenylquinoxalin-6-yl)-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 126338049
(2S)-N-(4-ethoxyphenyl)-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 7733596
(2S)-2-methyl-N-(4-sulfamoylphenyl)-2,3-dihydroindole-1-carbothioamide
CID 972032
2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-methylphenyl)acetamide
CID 2652852
N-(4-butan-2-ylphenyl)-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 17283940
(2R)-N-cyclopropyl-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 8619560
(2R)-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydroindole-1-carbothioamide
CID 40576503
N-(3-hydroxyphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108895859
2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)acetamide
CID 53121697
(2S)-N-[4-(ethylsulfamoyl)phenyl]-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 27520493

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylphenyl)-2,3-dihydroindole-1-carbothioamide?
The IUPAC name of 2-methyl-N-(3-methylphenyl)-2,3-dihydroindole-1-carbothioamide (CID 19686679) is 2-methyl-N-(3-methylphenyl)-2,3-dihydroindole-1-carbothioamide.
What is the SMILES notation for 2-methyl-N-(3-methylphenyl)-2,3-dihydroindole-1-carbothioamide?
The canonical SMILES for 2-methyl-N-(3-methylphenyl)-2,3-dihydroindole-1-carbothioamide is Cc1cccc(NC(=S)N2c3ccccc3CC2C)c1.
What is the InChIKey of 2-methyl-N-(3-methylphenyl)-2,3-dihydroindole-1-carbothioamide?
The InChIKey is FTNSTQQXTGOGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-12-6-5-8-15(10-12)18-17(20)19-13(2)11-14-7-3-4-9-16(14)19/h3-10,13H,11H2,1-2H3,(H,18,20).
What are the key properties of 2-methyl-N-(3-methylphenyl)-2,3-dihydroindole-1-carbothioamide?
2-methyl-N-(3-methylphenyl)-2,3-dihydroindole-1-carbothioamide has a molecular weight of 282.41 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylphenyl)-2,3-dihydroindole-1-carbothioamide is sourced from PubChem (CID 19686679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).