2,4-dithiophen-2-yl-1,3-thiazole

C11H7NS3 — CID 2546578

IUPAC2,4-dithiophen-2-yl-1,3-thiazole
SMILESc1csc(-c2csc(-c3cccs3)n2)c1
InChIInChI=1S/C11H7NS3/c1-3-9(13-5-1)8-7-15-11(12-8)10-4-2-6-14-10/h1-7H
InChIKeyQZVGIRSOKOZOLV-UHFFFAOYSA-N
MW249.39 g/mol
LogP4.60
Rot. Bonds2

About 2,4-dithiophen-2-yl-1,3-thiazole

2,4-dithiophen-2-yl-1,3-thiazole (PubChem CID 2546578) has the molecular formula C11H7NS3 and a molecular weight of 249.39 g/mol. Its IUPAC name is 2,4-dithiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2,4-dithiophen-2-yl-1,3-thiazole
PubChem CID2546578
Molecular FormulaC11H7NS3
Molecular Weight249.39 g/mol
Exact Mass248.97
IUPAC Name2,4-dithiophen-2-yl-1,3-thiazole
SMILESc1csc(-c2csc(-c3cccs3)n2)c1
InChIInChI=1S/C11H7NS3/c1-3-9(13-5-1)8-7-15-11(12-8)10-4-2-6-14-10/h1-7H
InChIKeyQZVGIRSOKOZOLV-UHFFFAOYSA-N
XLogP4.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.39
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dithiophen-2-yl-1,3-thiazole?
The IUPAC name of 2,4-dithiophen-2-yl-1,3-thiazole (CID 2546578) is 2,4-dithiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 2,4-dithiophen-2-yl-1,3-thiazole?
The canonical SMILES for 2,4-dithiophen-2-yl-1,3-thiazole is c1csc(-c2csc(-c3cccs3)n2)c1.
What is the InChIKey of 2,4-dithiophen-2-yl-1,3-thiazole?
The InChIKey is QZVGIRSOKOZOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NS3/c1-3-9(13-5-1)8-7-15-11(12-8)10-4-2-6-14-10/h1-7H.
What are the key properties of 2,4-dithiophen-2-yl-1,3-thiazole?
2,4-dithiophen-2-yl-1,3-thiazole has a molecular weight of 249.39 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dithiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 2546578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).