4-methyl-2-[2-(1,3-thiazol-2-ylsulfanyl)ethylsulfanyl]-1,3-thiazole

C9H10N2S4 — CID 57038727

IUPAC4-methyl-2-[2-(1,3-thiazol-2-ylsulfanyl)ethylsulfanyl]-1,3-thiazole
SMILESCc1csc(SCCSc2nccs2)n1
InChIInChI=1S/C9H10N2S4/c1-7-6-15-9(11-7)14-5-4-13-8-10-2-3-12-8/h2-3,6H,4-5H2,1H3
InChIKeyZOHOPXISCQPICA-UHFFFAOYSA-N
MW274.46 g/mol
LogP3.79
Rot. Bonds5

About 4-methyl-2-[2-(1,3-thiazol-2-ylsulfanyl)ethylsulfanyl]-1,3-thiazole

4-methyl-2-[2-(1,3-thiazol-2-ylsulfanyl)ethylsulfanyl]-1,3-thiazole (PubChem CID 57038727) has the molecular formula C9H10N2S4 and a molecular weight of 274.46 g/mol. Its IUPAC name is 4-methyl-2-[2-(1,3-thiazol-2-ylsulfanyl)ethylsulfanyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[2-(1,3-thiazol-2-ylsulfanyl)ethylsulfanyl]-1,3-thiazole
PubChem CID57038727
Molecular FormulaC9H10N2S4
Molecular Weight274.46 g/mol
Exact Mass273.97
IUPAC Name4-methyl-2-[2-(1,3-thiazol-2-ylsulfanyl)ethylsulfanyl]-1,3-thiazole
SMILESCc1csc(SCCSc2nccs2)n1
InChIInChI=1S/C9H10N2S4/c1-7-6-15-9(11-7)14-5-4-13-8-10-2-3-12-8/h2-3,6H,4-5H2,1H3
InChIKeyZOHOPXISCQPICA-UHFFFAOYSA-N
XLogP3.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-methyl-2-[2-(1,3-thiazol-2-ylsulfanyl)ethylsulfanyl]-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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(1,3-thiazol-2-ylsulfanyl)ethylsulfanyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[2-(1,3-thiazol-2-ylsulfanyl)ethylsulfanyl]-1,3-thiazole (CID 57038727) is 4-methyl-2-[2-(1,3-thiazol-2-ylsulfanyl)ethylsulfanyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[2-(1,3-thiazol-2-ylsulfanyl)ethylsulfanyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[2-(1,3-thiazol-2-ylsulfanyl)ethylsulfanyl]-1,3-thiazole is Cc1csc(SCCSc2nccs2)n1.
What is the InChIKey of 4-methyl-2-[2-(1,3-thiazol-2-ylsulfanyl)ethylsulfanyl]-1,3-thiazole?
The InChIKey is ZOHOPXISCQPICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S4/c1-7-6-15-9(11-7)14-5-4-13-8-10-2-3-12-8/h2-3,6H,4-5H2,1H3.
What are the key properties of 4-methyl-2-[2-(1,3-thiazol-2-ylsulfanyl)ethylsulfanyl]-1,3-thiazole?
4-methyl-2-[2-(1,3-thiazol-2-ylsulfanyl)ethylsulfanyl]-1,3-thiazole has a molecular weight of 274.46 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(1,3-thiazol-2-ylsulfanyl)ethylsulfanyl]-1,3-thiazole is sourced from PubChem (CID 57038727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).