2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole

C6H4N2S3 — CID 608243

IUPAC2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole
SMILESc1csc(Sc2nccs2)n1
InChIInChI=1S/C6H4N2S3/c1-3-9-5(7-1)11-6-8-2-4-10-6/h1-4H
InChIKeyFJHMSXKNZYCLRN-UHFFFAOYSA-N
MW200.31 g/mol
LogP2.75
Rot. Bonds2

About 2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole

2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole (PubChem CID 608243) has the molecular formula C6H4N2S3 and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole
PubChem CID608243
Molecular FormulaC6H4N2S3
Molecular Weight200.31 g/mol
Exact Mass199.95
IUPAC Name2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole
SMILESc1csc(Sc2nccs2)n1
InChIInChI=1S/C6H4N2S3/c1-3-9-5(7-1)11-6-8-2-4-10-6/h1-4H
InChIKeyFJHMSXKNZYCLRN-UHFFFAOYSA-N
XLogP2.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

Analyze 2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole 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

Thiazole
CID 9256
2-Methylthiazole
CID 77129
2-(Methylthio)thiazole
CID 2760100
Thiazole, 2,2'-dithiobis-
CID 357976
3-Methylthiazolium ion
CID 422254
2-(Ethyldisulfanyl)-1,3-thiazole
CID 20306430
Dimethyl-[2-(thiazol-2-ylsulfanyl)-ethyl]-amine
CID 44374226
2-(Butan-2-yldisulfanyl)-1,3-thiazole
CID 10236081
Thiazole hydrochloride
CID 21864418
2-(Cyclopentyldisulfanyl)-1,3-thiazole
CID 152039720
(1,3-Thiazol-2-yl)methanethiol
CID 13969144
Thiazole, 2,2'-methylenebis-
CID 642343

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole?
The IUPAC name of 2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole (CID 608243) is 2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole.
What is the SMILES notation for 2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole?
The canonical SMILES for 2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole is c1csc(Sc2nccs2)n1.
What is the InChIKey of 2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole?
The InChIKey is FJHMSXKNZYCLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2S3/c1-3-9-5(7-1)11-6-8-2-4-10-6/h1-4H.
What are the key properties of 2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole?
2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole has a molecular weight of 200.31 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole is sourced from PubChem (CID 608243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).