2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-1-carbothioamide

C15H16N2S2 — CID 46800236

IUPAC2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-1-carbothioamide
SMILESCC1Cc2ccccc2N1C(=S)NCc1cccs1
InChIInChI=1S/C15H16N2S2/c1-11-9-12-5-2-3-7-14(12)17(11)15(18)16-10-13-6-4-8-19-13/h2-8,11H,9-10H2,1H3,(H,16,18)
InChIKeyCJYPKOHOSBZSQQ-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.57
Rot. Bonds2

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

2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-1-carbothioamide (PubChem CID 46800236) has the molecular formula C15H16N2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-1-carbothioamide.

Molecular Properties

Compound Name2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-1-carbothioamide
PubChem CID46800236
Molecular FormulaC15H16N2S2
Molecular Weight288.44 g/mol
Exact Mass288.08
IUPAC Name2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-1-carbothioamide
SMILESCC1Cc2ccccc2N1C(=S)NCc1cccs1
InChIInChI=1S/C15H16N2S2/c1-11-9-12-5-2-3-7-14(12)17(11)15(18)16-10-13-6-4-8-19-13/h2-8,11H,9-10H2,1H3,(H,16,18)
InChIKeyCJYPKOHOSBZSQQ-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-1-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-1-carbothioamide
CID 8619555
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 110698086
1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 113008488
(2S)-N-(furan-2-ylmethyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 8657890
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 19686724
N-[(2S)-2-methyl-2,3-dihydroindole-1-carbothioyl]furan-2-carboxamide
CID 2374481
N-ethyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide
CID 18588020
(6R)-2,2,6-trimethyl-N-(thiophen-2-ylmethyl)morpholine-4-carbothioamide
CID 95100483
(2S)-N-(4-ethoxyphenyl)-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 7733596
N-(3,4-dichlorophenyl)-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 19686698
2-methyl-N-(3-methylphenyl)-2,3-dihydroindole-1-carbothioamide
CID 19686679
5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 71778396

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-1-carbothioamide?
The IUPAC name of 2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-1-carbothioamide (CID 46800236) is 2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-1-carbothioamide.
What is the SMILES notation for 2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-1-carbothioamide?
The canonical SMILES for 2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-1-carbothioamide is CC1Cc2ccccc2N1C(=S)NCc1cccs1.
What is the InChIKey of 2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-1-carbothioamide?
The InChIKey is CJYPKOHOSBZSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S2/c1-11-9-12-5-2-3-7-14(12)17(11)15(18)16-10-13-6-4-8-19-13/h2-8,11H,9-10H2,1H3,(H,16,18).
What are the key properties of 2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-1-carbothioamide?
2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-1-carbothioamide has a molecular weight of 288.44 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-1-carbothioamide is sourced from PubChem (CID 46800236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).