4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole

C16H8N2S4 — CID 175819030

IUPAC4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole
SMILESc1csc(-c2c3ncsc3c(-c3cccs3)c3ncsc23)c1
InChIInChI=1S/C16H8N2S4/c1-3-9(19-5-1)11-13-16(22-7-17-13)12(10-4-2-6-20-10)14-15(11)21-8-18-14/h1-8H
InChIKeyXGHJNWAUCLHXGU-UHFFFAOYSA-N
MW356.52 g/mol
LogP6.36
Rot. Bonds2

About 4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole

4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole (PubChem CID 175819030) has the molecular formula C16H8N2S4 and a molecular weight of 356.52 g/mol. Its IUPAC name is 4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole.

Molecular Properties

Compound Name4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole
PubChem CID175819030
Molecular FormulaC16H8N2S4
Molecular Weight356.52 g/mol
Exact Mass355.96
IUPAC Name4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole
SMILESc1csc(-c2c3ncsc3c(-c3cccs3)c3ncsc23)c1
InChIInChI=1S/C16H8N2S4/c1-3-9(19-5-1)11-13-16(22-7-17-13)12(10-4-2-6-20-10)14-15(11)21-8-18-14/h1-8H
InChIKeyXGHJNWAUCLHXGU-UHFFFAOYSA-N
XLogP6.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.52
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The IUPAC name of 4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole (CID 175819030) is 4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole.
What is the SMILES notation for 4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The canonical SMILES for 4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole is c1csc(-c2c3ncsc3c(-c3cccs3)c3ncsc23)c1.
What is the InChIKey of 4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The InChIKey is XGHJNWAUCLHXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8N2S4/c1-3-9(19-5-1)11-13-16(22-7-17-13)12(10-4-2-6-20-10)14-15(11)21-8-18-14/h1-8H.
What are the key properties of 4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole has a molecular weight of 356.52 g/mol, XLogP of 6.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole is sourced from PubChem (CID 175819030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).