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

C11H8N2S2 — CID 116889652

IUPAC2-(1H-indol-3-yl)-1,3-thiazole-4-thiol
SMILESSc1csc(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C11H8N2S2/c14-10-6-15-11(13-10)8-5-12-9-4-2-1-3-7(8)9/h1-6,12,14H
InChIKeyBGWZRNKEPWKPOF-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.58
Rot. Bonds1

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

2-(1H-indol-3-yl)-1,3-thiazole-4-thiol (PubChem CID 116889652) has the molecular formula C11H8N2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1,3-thiazole-4-thiol.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1,3-thiazole-4-thiol
PubChem CID116889652
Molecular FormulaC11H8N2S2
Molecular Weight232.33 g/mol
Exact Mass232.01
IUPAC Name2-(1H-indol-3-yl)-1,3-thiazole-4-thiol
SMILESSc1csc(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C11H8N2S2/c14-10-6-15-11(13-10)8-5-12-9-4-2-1-3-7(8)9/h1-6,12,14H
InChIKeyBGWZRNKEPWKPOF-UHFFFAOYSA-N
XLogP3.58
TPSA28.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.58
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-thiazole-5-thiol
CID 136988627
4-(2,5-dihydropyridin-3-yl)-2-(1H-indol-3-yl)-1,3-thiazole
CID 137133533
4-(1H-indol-3-yl)thiophen-2-amine
CID 82393986
3-pyridin-4-yl-1H-indole
CID 159430533
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
2-benzyl-4-(1H-indol-3-yl)-1,3-thiazole
CID 963414
[2-(1H-indol-3-yl)-4-methyl-1,3-thiazol-5-yl]hydrazine
CID 136988758
2-(1H-indol-3-yl)aniline
CID 25210227
6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine
CID 14358165
methane;3-phenyl-1H-indole
CID 167711687
4-[2-chloro-4-(trifluoromethylsulfonylmethyl)phenyl]-2-(1H-indol-3-yl)-1,3-thiazole
CID 149367317
2-(1H-indol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 175946267

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1,3-thiazole-4-thiol?
The IUPAC name of 2-(1H-indol-3-yl)-1,3-thiazole-4-thiol (CID 116889652) is 2-(1H-indol-3-yl)-1,3-thiazole-4-thiol.
What is the SMILES notation for 2-(1H-indol-3-yl)-1,3-thiazole-4-thiol?
The canonical SMILES for 2-(1H-indol-3-yl)-1,3-thiazole-4-thiol is Sc1csc(-c2c[nH]c3ccccc23)n1.
What is the InChIKey of 2-(1H-indol-3-yl)-1,3-thiazole-4-thiol?
The InChIKey is BGWZRNKEPWKPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S2/c14-10-6-15-11(13-10)8-5-12-9-4-2-1-3-7(8)9/h1-6,12,14H.
What are the key properties of 2-(1H-indol-3-yl)-1,3-thiazole-4-thiol?
2-(1H-indol-3-yl)-1,3-thiazole-4-thiol has a molecular weight of 232.33 g/mol, XLogP of 3.58, 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)-1,3-thiazole-4-thiol is sourced from PubChem (CID 116889652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).