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

C12H6N2S4 — CID 156613193

IUPAC2,5-di(thiophen-3-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESc1cc(-c2nc3sc(-c4ccsc4)nc3s2)cs1
InChIInChI=1S/C12H6N2S4/c1-3-15-5-7(1)9-13-11-12(17-9)14-10(18-11)8-2-4-16-6-8/h1-6H
InChIKeyRLEKKYWYWLDHFA-UHFFFAOYSA-N
MW306.46 g/mol
LogP5.21
Rot. Bonds2

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

2,5-di(thiophen-3-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole (PubChem CID 156613193) has the molecular formula C12H6N2S4 and a molecular weight of 306.46 g/mol. Its IUPAC name is 2,5-di(thiophen-3-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name2,5-di(thiophen-3-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole
PubChem CID156613193
Molecular FormulaC12H6N2S4
Molecular Weight306.46 g/mol
Exact Mass305.94
IUPAC Name2,5-di(thiophen-3-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESc1cc(-c2nc3sc(-c4ccsc4)nc3s2)cs1
InChIInChI=1S/C12H6N2S4/c1-3-15-5-7(1)9-13-11-12(17-9)14-10(18-11)8-2-4-16-6-8/h1-6H
InChIKeyRLEKKYWYWLDHFA-UHFFFAOYSA-N
XLogP5.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.46
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-di(thiophen-3-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
The IUPAC name of 2,5-di(thiophen-3-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole (CID 156613193) is 2,5-di(thiophen-3-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 2,5-di(thiophen-3-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 2,5-di(thiophen-3-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole is c1cc(-c2nc3sc(-c4ccsc4)nc3s2)cs1.
What is the InChIKey of 2,5-di(thiophen-3-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
The InChIKey is RLEKKYWYWLDHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N2S4/c1-3-15-5-7(1)9-13-11-12(17-9)14-10(18-11)8-2-4-16-6-8/h1-6H.
What are the key properties of 2,5-di(thiophen-3-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
2,5-di(thiophen-3-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole has a molecular weight of 306.46 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(thiophen-3-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 156613193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).