2-tert-butyl-4-[5-(3-tert-butyl-4-hydroxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenol

C24H26N2O2S2 — CID 154164064

IUPAC2-tert-butyl-4-[5-(3-tert-butyl-4-hydroxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenol
SMILESCC(C)(C)c1cc(-c2nc3sc(-c4ccc(O)c(C(C)(C)C)c4)nc3s2)ccc1O
InChIInChI=1S/C24H26N2O2S2/c1-23(2,3)15-11-13(7-9-17(15)27)19-25-21-22(29-19)26-20(30-21)14-8-10-18(28)16(12-14)24(4,5)6/h7-12,27-28H,1-6H3
InChIKeyRQOLZLOGEMSZNT-UHFFFAOYSA-N
MW438.62 g/mol
LogP7.09
Rot. Bonds2

About 2-tert-butyl-4-[5-(3-tert-butyl-4-hydroxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenol

2-tert-butyl-4-[5-(3-tert-butyl-4-hydroxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenol (PubChem CID 154164064) has the molecular formula C24H26N2O2S2 and a molecular weight of 438.62 g/mol. Its IUPAC name is 2-tert-butyl-4-[5-(3-tert-butyl-4-hydroxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenol.

Molecular Properties

Compound Name2-tert-butyl-4-[5-(3-tert-butyl-4-hydroxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenol
PubChem CID154164064
Molecular FormulaC24H26N2O2S2
Molecular Weight438.62 g/mol
Exact Mass438.14
IUPAC Name2-tert-butyl-4-[5-(3-tert-butyl-4-hydroxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenol
SMILESCC(C)(C)c1cc(-c2nc3sc(-c4ccc(O)c(C(C)(C)C)c4)nc3s2)ccc1O
InChIInChI=1S/C24H26N2O2S2/c1-23(2,3)15-11-13(7-9-17(15)27)19-25-21-22(29-19)26-20(30-21)14-8-10-18(28)16(12-14)24(4,5)6/h7-12,27-28H,1-6H3
InChIKeyRQOLZLOGEMSZNT-UHFFFAOYSA-N
XLogP7.09
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.62
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[5-(3-tert-butyl-4-hydroxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenol?
The IUPAC name of 2-tert-butyl-4-[5-(3-tert-butyl-4-hydroxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenol (CID 154164064) is 2-tert-butyl-4-[5-(3-tert-butyl-4-hydroxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenol.
What is the SMILES notation for 2-tert-butyl-4-[5-(3-tert-butyl-4-hydroxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenol?
The canonical SMILES for 2-tert-butyl-4-[5-(3-tert-butyl-4-hydroxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenol is CC(C)(C)c1cc(-c2nc3sc(-c4ccc(O)c(C(C)(C)C)c4)nc3s2)ccc1O.
What is the InChIKey of 2-tert-butyl-4-[5-(3-tert-butyl-4-hydroxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenol?
The InChIKey is RQOLZLOGEMSZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S2/c1-23(2,3)15-11-13(7-9-17(15)27)19-25-21-22(29-19)26-20(30-21)14-8-10-18(28)16(12-14)24(4,5)6/h7-12,27-28H,1-6H3.
What are the key properties of 2-tert-butyl-4-[5-(3-tert-butyl-4-hydroxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenol?
2-tert-butyl-4-[5-(3-tert-butyl-4-hydroxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenol has a molecular weight of 438.62 g/mol, XLogP of 7.09, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[5-(3-tert-butyl-4-hydroxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenol is sourced from PubChem (CID 154164064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).