2,5-bis(5-thiophen-2-ylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole

C20H10N2S6 — CID 5174058

IUPAC2,5-bis(5-thiophen-2-ylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESc1csc(-c2ccc(-c3nc4sc(-c5ccc(-c6cccs6)s5)nc4s3)s2)c1
InChIInChI=1S/C20H10N2S6/c1-3-11(23-9-1)13-5-7-15(25-13)17-21-19-20(27-17)22-18(28-19)16-8-6-14(26-16)12-4-2-10-24-12/h1-10H
InChIKeyFGEHKALXLGAYNW-UHFFFAOYSA-N
MW470.72 g/mol
LogP8.67
Rot. Bonds4

About 2,5-bis(5-thiophen-2-ylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole

2,5-bis(5-thiophen-2-ylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole (PubChem CID 5174058) has the molecular formula C20H10N2S6 and a molecular weight of 470.72 g/mol. Its IUPAC name is 2,5-bis(5-thiophen-2-ylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name2,5-bis(5-thiophen-2-ylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole
PubChem CID5174058
Molecular FormulaC20H10N2S6
Molecular Weight470.72 g/mol
Exact Mass469.92
IUPAC Name2,5-bis(5-thiophen-2-ylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESc1csc(-c2ccc(-c3nc4sc(-c5ccc(-c6cccs6)s5)nc4s3)s2)c1
InChIInChI=1S/C20H10N2S6/c1-3-11(23-9-1)13-5-7-15(25-13)17-21-19-20(27-17)22-18(28-19)16-8-6-14(26-16)12-4-2-10-24-12/h1-10H
InChIKeyFGEHKALXLGAYNW-UHFFFAOYSA-N
XLogP8.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.72
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(5-thiophen-2-ylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
The IUPAC name of 2,5-bis(5-thiophen-2-ylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole (CID 5174058) is 2,5-bis(5-thiophen-2-ylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 2,5-bis(5-thiophen-2-ylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 2,5-bis(5-thiophen-2-ylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole is c1csc(-c2ccc(-c3nc4sc(-c5ccc(-c6cccs6)s5)nc4s3)s2)c1.
What is the InChIKey of 2,5-bis(5-thiophen-2-ylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
The InChIKey is FGEHKALXLGAYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10N2S6/c1-3-11(23-9-1)13-5-7-15(25-13)17-21-19-20(27-17)22-18(28-19)16-8-6-14(26-16)12-4-2-10-24-12/h1-10H.
What are the key properties of 2,5-bis(5-thiophen-2-ylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
2,5-bis(5-thiophen-2-ylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole has a molecular weight of 470.72 g/mol, XLogP of 8.67, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(5-thiophen-2-ylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 5174058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).