2-(1H-indol-3-yl)-4-methyl-1,3-thiazole-5-thiol

C12H10N2S2 — CID 136988627

IUPAC2-(1H-indol-3-yl)-4-methyl-1,3-thiazole-5-thiol
SMILESCc1nc(-c2c[nH]c3ccccc23)sc1S
InChIInChI=1S/C12H10N2S2/c1-7-12(15)16-11(14-7)9-6-13-10-5-3-2-4-8(9)10/h2-6,13,15H,1H3
InChIKeyFKQJXBPRVJCZLI-UHFFFAOYSA-N
MW246.36 g/mol
LogP3.89
Rot. Bonds1

About 2-(1H-indol-3-yl)-4-methyl-1,3-thiazole-5-thiol

2-(1H-indol-3-yl)-4-methyl-1,3-thiazole-5-thiol (PubChem CID 136988627) has the molecular formula C12H10N2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-4-methyl-1,3-thiazole-5-thiol.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-4-methyl-1,3-thiazole-5-thiol
PubChem CID136988627
Molecular FormulaC12H10N2S2
Molecular Weight246.36 g/mol
Exact Mass246.03
IUPAC Name2-(1H-indol-3-yl)-4-methyl-1,3-thiazole-5-thiol
SMILESCc1nc(-c2c[nH]c3ccccc23)sc1S
InChIInChI=1S/C12H10N2S2/c1-7-12(15)16-11(14-7)9-6-13-10-5-3-2-4-8(9)10/h2-6,13,15H,1H3
InChIKeyFKQJXBPRVJCZLI-UHFFFAOYSA-N
XLogP3.89
TPSA28.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[2-(1H-indol-3-yl)-4-methyl-1,3-thiazol-5-yl]hydrazine
CID 136988758
2-(1H-indol-3-yl)-1,3-thiazole-4-thiol
CID 116889652
6-(1H-indol-3-yl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 135652764
4-(1H-indol-3-yl)-5-methyl-1,3-thiazole-2-carbaldehyde
CID 116867279
1-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 116867715
3-(1H-indol-3-yl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 136995809
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
4-(1H-indol-3-yl)-5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole
CID 9422833
[6-(1H-indol-3-yl)-2-methylpyrimidin-4-yl]methanamine
CID 116857643
3-(3,5-dimethylphenyl)-1H-indole
CID 169241956
2-(1H-indol-3-yl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 90547081
2-(1H-indol-3-yl)aniline
CID 25210227

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-4-methyl-1,3-thiazole-5-thiol?
The IUPAC name of 2-(1H-indol-3-yl)-4-methyl-1,3-thiazole-5-thiol (CID 136988627) is 2-(1H-indol-3-yl)-4-methyl-1,3-thiazole-5-thiol.
What is the SMILES notation for 2-(1H-indol-3-yl)-4-methyl-1,3-thiazole-5-thiol?
The canonical SMILES for 2-(1H-indol-3-yl)-4-methyl-1,3-thiazole-5-thiol is Cc1nc(-c2c[nH]c3ccccc23)sc1S.
What is the InChIKey of 2-(1H-indol-3-yl)-4-methyl-1,3-thiazole-5-thiol?
The InChIKey is FKQJXBPRVJCZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S2/c1-7-12(15)16-11(14-7)9-6-13-10-5-3-2-4-8(9)10/h2-6,13,15H,1H3.
What are the key properties of 2-(1H-indol-3-yl)-4-methyl-1,3-thiazole-5-thiol?
2-(1H-indol-3-yl)-4-methyl-1,3-thiazole-5-thiol has a molecular weight of 246.36 g/mol, XLogP of 3.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-4-methyl-1,3-thiazole-5-thiol is sourced from PubChem (CID 136988627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).