2,5-bis[5-(2,4,6-trifluorophenyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole

C24H8F6N2S4 — CID 170274921

IUPAC2,5-bis[5-(2,4,6-trifluorophenyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESFc1cc(F)c(-c2ccc(-c3nc4sc(-c5ccc(-c6c(F)cc(F)cc6F)s5)nc4s3)s2)c(F)c1
InChIInChI=1S/C24H8F6N2S4/c25-9-5-11(27)19(12(28)6-9)15-1-3-17(33-15)21-31-23-24(35-21)32-22(36-23)18-4-2-16(34-18)20-13(29)7-10(26)8-14(20)30/h1-8H
InChIKeyCFTZIDWYCHYBSK-UHFFFAOYSA-N
MW566.60 g/mol
LogP9.38
Rot. Bonds4

About 2,5-bis[5-(2,4,6-trifluorophenyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole

2,5-bis[5-(2,4,6-trifluorophenyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole (PubChem CID 170274921) has the molecular formula C24H8F6N2S4 and a molecular weight of 566.60 g/mol. Its IUPAC name is 2,5-bis[5-(2,4,6-trifluorophenyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name2,5-bis[5-(2,4,6-trifluorophenyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
PubChem CID170274921
Molecular FormulaC24H8F6N2S4
Molecular Weight566.60 g/mol
Exact Mass565.95
IUPAC Name2,5-bis[5-(2,4,6-trifluorophenyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESFc1cc(F)c(-c2ccc(-c3nc4sc(-c5ccc(-c6c(F)cc(F)cc6F)s5)nc4s3)s2)c(F)c1
InChIInChI=1S/C24H8F6N2S4/c25-9-5-11(27)19(12(28)6-9)15-1-3-17(33-15)21-31-23-24(35-21)32-22(36-23)18-4-2-16(34-18)20-13(29)7-10(26)8-14(20)30/h1-8H
InChIKeyCFTZIDWYCHYBSK-UHFFFAOYSA-N
XLogP9.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.60
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[5-(2,4,6-trifluorophenyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
The IUPAC name of 2,5-bis[5-(2,4,6-trifluorophenyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole (CID 170274921) is 2,5-bis[5-(2,4,6-trifluorophenyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 2,5-bis[5-(2,4,6-trifluorophenyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 2,5-bis[5-(2,4,6-trifluorophenyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole is Fc1cc(F)c(-c2ccc(-c3nc4sc(-c5ccc(-c6c(F)cc(F)cc6F)s5)nc4s3)s2)c(F)c1.
What is the InChIKey of 2,5-bis[5-(2,4,6-trifluorophenyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
The InChIKey is CFTZIDWYCHYBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H8F6N2S4/c25-9-5-11(27)19(12(28)6-9)15-1-3-17(33-15)21-31-23-24(35-21)32-22(36-23)18-4-2-16(34-18)20-13(29)7-10(26)8-14(20)30/h1-8H.
What are the key properties of 2,5-bis[5-(2,4,6-trifluorophenyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
2,5-bis[5-(2,4,6-trifluorophenyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole has a molecular weight of 566.60 g/mol, XLogP of 9.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[5-(2,4,6-trifluorophenyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 170274921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).