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

C16H6N2S4 — CID 59270675

IUPAC2,5-bis(2-thiophen-2-ylethynyl)-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESC(#Cc1nc2sc(C#Cc3cccs3)nc2s1)c1cccs1
InChIInChI=1S/C16H6N2S4/c1-3-11(19-9-1)5-7-13-17-15-16(21-13)18-14(22-15)8-6-12-4-2-10-20-12/h1-4,9-10H
InChIKeyZWEITVUGAOKWGB-UHFFFAOYSA-N
MW354.51 g/mol
LogP4.68
Rot. Bonds

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

2,5-bis(2-thiophen-2-ylethynyl)-[1,3]thiazolo[5,4-d][1,3]thiazole (PubChem CID 59270675) has the molecular formula C16H6N2S4 and a molecular weight of 354.51 g/mol. Its IUPAC name is 2,5-bis(2-thiophen-2-ylethynyl)-[1,3]thiazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name2,5-bis(2-thiophen-2-ylethynyl)-[1,3]thiazolo[5,4-d][1,3]thiazole
PubChem CID59270675
Molecular FormulaC16H6N2S4
Molecular Weight354.51 g/mol
Exact Mass353.94
IUPAC Name2,5-bis(2-thiophen-2-ylethynyl)-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESC(#Cc1nc2sc(C#Cc3cccs3)nc2s1)c1cccs1
InChIInChI=1S/C16H6N2S4/c1-3-11(19-9-1)5-7-13-17-15-16(21-13)18-14(22-15)8-6-12-4-2-10-20-12/h1-4,9-10H
InChIKeyZWEITVUGAOKWGB-UHFFFAOYSA-N
XLogP4.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.51
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2,5-bis(2-thiophen-2-ylethynyl)-[1,3]thiazolo[5,4-d][1,3]thiazole with MolForge

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Related Compounds

2-prop-1-ynyl-5-(2-thiophen-2-ylethynyl)thiophene
CID 642329
2-[2-(4-methoxyphenyl)ethynyl]thiophene
CID 46218240
2-[2-(4-bromophenyl)ethynyl]thiophene
CID 691687
N-tert-butyl-2-[5-(2-thiophen-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride
CID 69322196
2-[2-(2-phenylphenyl)ethynyl]thiophene
CID 11357429
4-thiophen-2-ylbut-3-ynenitrile
CID 170474196
2-[2-[methyl(2-thiophen-2-ylethynyl)phosphoryl]ethynyl]thiophene
CID 164687205
copper(1+);2-ethynylthiophene
CID 86222395
trimethyl-(2-methyl-4-thiophen-2-ylbut-3-yn-2-yl)oxysilane
CID 146003769
bicyclo[3.1.0]hexa-1(6),2,4-triene;2-prop-1-ynylthiophene
CID 175010018
ethane;thiophene-2-carbonitrile
CID 143604797
2-[2-(4-fluoro-3-methylphenyl)ethynyl]thiophene
CID 141140890

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-thiophen-2-ylethynyl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
The IUPAC name of 2,5-bis(2-thiophen-2-ylethynyl)-[1,3]thiazolo[5,4-d][1,3]thiazole (CID 59270675) is 2,5-bis(2-thiophen-2-ylethynyl)-[1,3]thiazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 2,5-bis(2-thiophen-2-ylethynyl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 2,5-bis(2-thiophen-2-ylethynyl)-[1,3]thiazolo[5,4-d][1,3]thiazole is C(#Cc1nc2sc(C#Cc3cccs3)nc2s1)c1cccs1.
What is the InChIKey of 2,5-bis(2-thiophen-2-ylethynyl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
The InChIKey is ZWEITVUGAOKWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6N2S4/c1-3-11(19-9-1)5-7-13-17-15-16(21-13)18-14(22-15)8-6-12-4-2-10-20-12/h1-4,9-10H.
What are the key properties of 2,5-bis(2-thiophen-2-ylethynyl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
2,5-bis(2-thiophen-2-ylethynyl)-[1,3]thiazolo[5,4-d][1,3]thiazole has a molecular weight of 354.51 g/mol, XLogP of 4.68, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-thiophen-2-ylethynyl)-[1,3]thiazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 59270675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).