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

C26H12F6N2S4 — CID 86049710

IUPAC2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESFC(F)(F)c1ccc(-c2ccc(-c3nc4sc(-c5ccc(-c6ccc(C(F)(F)F)cc6)s5)nc4s3)s2)cc1
InChIInChI=1S/C26H12F6N2S4/c27-25(28,29)15-5-1-13(2-6-15)17-9-11-19(35-17)21-33-23-24(37-21)34-22(38-23)20-12-10-18(36-20)14-3-7-16(8-4-14)26(30,31)32/h1-12H
InChIKeyYZCBYJCVBABOEN-UHFFFAOYSA-N
MW594.65 g/mol
LogP10.58
Rot. Bonds4

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

2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole (PubChem CID 86049710) has the molecular formula C26H12F6N2S4 and a molecular weight of 594.65 g/mol. Its IUPAC name is 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
PubChem CID86049710
Molecular FormulaC26H12F6N2S4
Molecular Weight594.65 g/mol
Exact Mass593.98
IUPAC Name2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESFC(F)(F)c1ccc(-c2ccc(-c3nc4sc(-c5ccc(-c6ccc(C(F)(F)F)cc6)s5)nc4s3)s2)cc1
InChIInChI=1S/C26H12F6N2S4/c27-25(28,29)15-5-1-13(2-6-15)17-9-11-19(35-17)21-33-23-24(37-21)34-22(38-23)20-12-10-18(36-20)14-3-7-16(8-4-14)26(30,31)32/h1-12H
InChIKeyYZCBYJCVBABOEN-UHFFFAOYSA-N
XLogP10.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.65
LogP ≤ 510.58
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-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
The IUPAC name of 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole (CID 86049710) is 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole is FC(F)(F)c1ccc(-c2ccc(-c3nc4sc(-c5ccc(-c6ccc(C(F)(F)F)cc6)s5)nc4s3)s2)cc1.
What is the InChIKey of 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
The InChIKey is YZCBYJCVBABOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H12F6N2S4/c27-25(28,29)15-5-1-13(2-6-15)17-9-11-19(35-17)21-33-23-24(37-21)34-22(38-23)20-12-10-18(36-20)14-3-7-16(8-4-14)26(30,31)32/h1-12H.
What are the key properties of 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole has a molecular weight of 594.65 g/mol, XLogP of 10.58, 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-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 86049710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).