3-methylsulfanyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole

C11H9N3S2 — CID 30222922

IUPAC3-methylsulfanyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCSc1nnc2scc(-c3ccccc3)n12
InChIInChI=1S/C11H9N3S2/c1-15-10-12-13-11-14(10)9(7-16-11)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyWDKLYRZLZXGXST-UHFFFAOYSA-N
MW247.35 g/mol
LogP3.18
Rot. Bonds2

About 3-methylsulfanyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole

3-methylsulfanyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole (PubChem CID 30222922) has the molecular formula C11H9N3S2 and a molecular weight of 247.35 g/mol. Its IUPAC name is 3-methylsulfanyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole.

Molecular Properties

Compound Name3-methylsulfanyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
PubChem CID30222922
Molecular FormulaC11H9N3S2
Molecular Weight247.35 g/mol
Exact Mass247.02
IUPAC Name3-methylsulfanyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCSc1nnc2scc(-c3ccccc3)n12
InChIInChI=1S/C11H9N3S2/c1-15-10-12-13-11-14(10)9(7-16-11)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyWDKLYRZLZXGXST-UHFFFAOYSA-N
XLogP3.18
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methylsulfanyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole 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

1-(4-Benzyl-piperazin-1-yl)-2-(5-phenyl-thiazolo[2,3-c][1,2,4]triazol-3-ylsulfanyl)-ethanone
CID 645655
4-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-(methylsulfanyl)-4H-1,2,4-triazole
CID 1478785
5-(4-Chlorophenyl)-3-(2-methylpropylsulfanyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 155564852
6-Methyl-1-methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
CID 326027
3-(((2-Methylthiazol-4-yl)methyl)thio)-5-(p-tolyl)thiazolo[2,3-c][1,2,4]triazole
CID 1179308
5-(4-Chlorophenyl)-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]thio}[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 2938698
3-(((2-Methylthiazol-4-yl)methyl)thio)-5-phenylthiazolo[2,3-c][1,2,4]triazole
CID 3245231
3-Ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 121013902
1-(4-Phenyl-thiazol-2-yl)-1H-tetrazole
CID 650443
N-(5-phenyl-1,2,4-thiadiazol-3-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
CID 1589738
2-[[5-(4-Methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
CID 3154265
5-(4-Chlorophenyl)-3-(trifluoromethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 2743753

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The IUPAC name of 3-methylsulfanyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole (CID 30222922) is 3-methylsulfanyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole.
What is the SMILES notation for 3-methylsulfanyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The canonical SMILES for 3-methylsulfanyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole is CSc1nnc2scc(-c3ccccc3)n12.
What is the InChIKey of 3-methylsulfanyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The InChIKey is WDKLYRZLZXGXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S2/c1-15-10-12-13-11-14(10)9(7-16-11)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 3-methylsulfanyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
3-methylsulfanyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole has a molecular weight of 247.35 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole is sourced from PubChem (CID 30222922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).