N-(3,5-dimethylphenyl)-2,3-dihydroindole-1-carbothioamide

C17H18N2S — CID 2390455

IUPACN-(3,5-dimethylphenyl)-2,3-dihydroindole-1-carbothioamide
SMILESCc1cc(C)cc(NC(=S)N2CCc3ccccc32)c1
InChIInChI=1S/C17H18N2S/c1-12-9-13(2)11-15(10-12)18-17(20)19-8-7-14-5-3-4-6-16(14)19/h3-6,9-11H,7-8H2,1-2H3,(H,18,20)
InChIKeyFUVDSKFSEYRRCD-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.06
Rot. Bonds1

About N-(3,5-dimethylphenyl)-2,3-dihydroindole-1-carbothioamide

N-(3,5-dimethylphenyl)-2,3-dihydroindole-1-carbothioamide (PubChem CID 2390455) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2,3-dihydroindole-1-carbothioamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2,3-dihydroindole-1-carbothioamide
PubChem CID2390455
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC NameN-(3,5-dimethylphenyl)-2,3-dihydroindole-1-carbothioamide
SMILESCc1cc(C)cc(NC(=S)N2CCc3ccccc32)c1
InChIInChI=1S/C17H18N2S/c1-12-9-13(2)11-15(10-12)18-17(20)19-8-7-14-5-3-4-6-16(14)19/h3-6,9-11H,7-8H2,1-2H3,(H,18,20)
InChIKeyFUVDSKFSEYRRCD-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
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-(4-bromophenyl)-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 17298488
ethyl 4-(2,3-dihydroindole-1-carbothioylamino)benzoate
CID 3516952
N-(3-nitrophenyl)-2,3-dihydroindole-1-carbothioamide
CID 19686640
N-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 19686750
2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 22199883
N-(3-ethylphenyl)-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 71821627
N-(2,3-dihydroindole-1-carbothioyl)-3-methylbenzamide
CID 905190
N-(2-methylpropyl)-2,3-dihydroindole-1-carbothioamide
CID 19686661
2-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 111811001
ethyl 4-(3,4-dihydro-2H-quinoline-1-carbothioylamino)benzoate
CID 19686763
2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone
CID 109242381
N-(2-chloro-5-nitrophenyl)-2,3-dihydroindole-1-carbothioamide
CID 7942829

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2,3-dihydroindole-1-carbothioamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2,3-dihydroindole-1-carbothioamide (CID 2390455) is N-(3,5-dimethylphenyl)-2,3-dihydroindole-1-carbothioamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2,3-dihydroindole-1-carbothioamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2,3-dihydroindole-1-carbothioamide is Cc1cc(C)cc(NC(=S)N2CCc3ccccc32)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2,3-dihydroindole-1-carbothioamide?
The InChIKey is FUVDSKFSEYRRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-12-9-13(2)11-15(10-12)18-17(20)19-8-7-14-5-3-4-6-16(14)19/h3-6,9-11H,7-8H2,1-2H3,(H,18,20).
What are the key properties of N-(3,5-dimethylphenyl)-2,3-dihydroindole-1-carbothioamide?
N-(3,5-dimethylphenyl)-2,3-dihydroindole-1-carbothioamide has a molecular weight of 282.41 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2,3-dihydroindole-1-carbothioamide is sourced from PubChem (CID 2390455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).