4,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole

C8H8N2S3 — CID 118524512

IUPAC4,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole
SMILESCc1nc(Sc2nccs2)sc1C
InChIInChI=1S/C8H8N2S3/c1-5-6(2)12-8(10-5)13-7-9-3-4-11-7/h3-4H,1-2H3
InChIKeyWSKYIZZVWYGGBT-UHFFFAOYSA-N
MW228.37 g/mol
LogP3.37
Rot. Bonds2

About 4,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole

4,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole (PubChem CID 118524512) has the molecular formula C8H8N2S3 and a molecular weight of 228.37 g/mol. Its IUPAC name is 4,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole
PubChem CID118524512
Molecular FormulaC8H8N2S3
Molecular Weight228.37 g/mol
Exact Mass227.98
IUPAC Name4,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole
SMILESCc1nc(Sc2nccs2)sc1C
InChIInChI=1S/C8H8N2S3/c1-5-6(2)12-8(10-5)13-7-9-3-4-11-7/h3-4H,1-2H3
InChIKeyWSKYIZZVWYGGBT-UHFFFAOYSA-N
XLogP3.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.37
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole (CID 118524512) is 4,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole is Cc1nc(Sc2nccs2)sc1C.
What is the InChIKey of 4,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole?
The InChIKey is WSKYIZZVWYGGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S3/c1-5-6(2)12-8(10-5)13-7-9-3-4-11-7/h3-4H,1-2H3.
What are the key properties of 4,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole?
4,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole has a molecular weight of 228.37 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole is sourced from PubChem (CID 118524512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).