5,7-dimethylindole-1-carbothioamide

C11H12N2S — CID 91417032

IUPAC5,7-dimethylindole-1-carbothioamide
SMILESCc1cc(C)c2c(ccn2C(N)=S)c1
InChIInChI=1S/C11H12N2S/c1-7-5-8(2)10-9(6-7)3-4-13(10)11(12)14/h3-6H,1-2H3,(H2,12,14)
InChIKeySKPBUDWLNSOCNY-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.35
Rot. Bonds

About 5,7-dimethylindole-1-carbothioamide

5,7-dimethylindole-1-carbothioamide (PubChem CID 91417032) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 5,7-dimethylindole-1-carbothioamide.

Molecular Properties

Compound Name5,7-dimethylindole-1-carbothioamide
PubChem CID91417032
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name5,7-dimethylindole-1-carbothioamide
SMILESCc1cc(C)c2c(ccn2C(N)=S)c1
InChIInChI=1S/C11H12N2S/c1-7-5-8(2)10-9(6-7)3-4-13(10)11(12)14/h3-6H,1-2H3,(H2,12,14)
InChIKeySKPBUDWLNSOCNY-UHFFFAOYSA-N
XLogP2.35
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,7-dimethylindole-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

2-(5,7-dimethylindol-1-yl)ethanamine
CID 82490847
3-(5,7-dimethylindol-1-yl)propan-1-amine
CID 82491687
4-(5,7-dimethylindol-1-yl)butan-1-amine
CID 83968682
2-(2,4-dimethylphenyl)ethanethioamide
CID 82075040
ethane;S-(indole-1-carbothioyl) 2,4,6-trimethylbenzenecarbothioate
CID 153391802
tert-butyl 2-(5,7-dimethylindol-1-yl)acetate
CID 70291358
(2,4,6-trimethylphenyl)thiourea
CID 2731118
5-chloro-7-methylindol-1-amine
CID 96628599
3-(2,4,6-trimethylanilino)propanethioamide
CID 82080350
5-methyl-1-oxidoindole
CID 175184350
1-ethyl-5-methylindole-7-carboxylic acid
CID 83946023
2-(6-methyl-1-oxoisoquinolin-2-yl)ethanethioamide
CID 82151328

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethylindole-1-carbothioamide?
The IUPAC name of 5,7-dimethylindole-1-carbothioamide (CID 91417032) is 5,7-dimethylindole-1-carbothioamide.
What is the SMILES notation for 5,7-dimethylindole-1-carbothioamide?
The canonical SMILES for 5,7-dimethylindole-1-carbothioamide is Cc1cc(C)c2c(ccn2C(N)=S)c1.
What is the InChIKey of 5,7-dimethylindole-1-carbothioamide?
The InChIKey is SKPBUDWLNSOCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-7-5-8(2)10-9(6-7)3-4-13(10)11(12)14/h3-6H,1-2H3,(H2,12,14).
What are the key properties of 5,7-dimethylindole-1-carbothioamide?
5,7-dimethylindole-1-carbothioamide has a molecular weight of 204.30 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethylindole-1-carbothioamide is sourced from PubChem (CID 91417032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).