7-[5-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-yl]-2-[5-(6-fluoro-1,3-benzothiazol-2-yl)thiophen-2-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzoxazole

C34H14F2N4O2S4 — CID 169314027

IUPAC7-[5-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-yl]-2-[5-(6-fluoro-1,3-benzothiazol-2-yl)thiophen-2-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzoxazole
SMILESFc1ccc2nc(-c3ccc(-c4nc5cc6cc7oc(-c8ccc(-c9nc%10ccc(F)cc%10s9)s8)nc7cc6cc5s4)o3)sc2c1
InChIInChI=1S/C34H14F2N4O2S4/c35-17-1-3-19-29(13-17)45-32(38-19)23-5-6-24(41-23)33-40-22-10-15-11-25-21(9-16(15)12-28(22)44-33)37-31(42-25)26-7-8-27(43-26)34-39-20-4-2-18(36)14-30(20)46-34/h1-14H
InChIKeyOWHXYLSTOVUISF-UHFFFAOYSA-N
MW676.78 g/mol
LogP11.41
Rot. Bonds4

About 7-[5-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-yl]-2-[5-(6-fluoro-1,3-benzothiazol-2-yl)thiophen-2-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzoxazole

7-[5-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-yl]-2-[5-(6-fluoro-1,3-benzothiazol-2-yl)thiophen-2-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzoxazole (PubChem CID 169314027) has the molecular formula C34H14F2N4O2S4 and a molecular weight of 676.78 g/mol. Its IUPAC name is 7-[5-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-yl]-2-[5-(6-fluoro-1,3-benzothiazol-2-yl)thiophen-2-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzoxazole.

Molecular Properties

Compound Name7-[5-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-yl]-2-[5-(6-fluoro-1,3-benzothiazol-2-yl)thiophen-2-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzoxazole
PubChem CID169314027
Molecular FormulaC34H14F2N4O2S4
Molecular Weight676.78 g/mol
Exact Mass676.00
IUPAC Name7-[5-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-yl]-2-[5-(6-fluoro-1,3-benzothiazol-2-yl)thiophen-2-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzoxazole
SMILESFc1ccc2nc(-c3ccc(-c4nc5cc6cc7oc(-c8ccc(-c9nc%10ccc(F)cc%10s9)s8)nc7cc6cc5s4)o3)sc2c1
InChIInChI=1S/C34H14F2N4O2S4/c35-17-1-3-19-29(13-17)45-32(38-19)23-5-6-24(41-23)33-40-22-10-15-11-25-21(9-16(15)12-28(22)44-33)37-31(42-25)26-7-8-27(43-26)34-39-20-4-2-18(36)14-30(20)46-34/h1-14H
InChIKeyOWHXYLSTOVUISF-UHFFFAOYSA-N
XLogP11.41
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.78
LogP ≤ 511.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 7-[5-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-yl]-2-[5-(6-fluoro-1,3-benzothiazol-2-yl)thiophen-2-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-yl]-2-[5-(6-fluoro-1,3-benzothiazol-2-yl)thiophen-2-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzoxazole?
The IUPAC name of 7-[5-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-yl]-2-[5-(6-fluoro-1,3-benzothiazol-2-yl)thiophen-2-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzoxazole (CID 169314027) is 7-[5-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-yl]-2-[5-(6-fluoro-1,3-benzothiazol-2-yl)thiophen-2-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzoxazole.
What is the SMILES notation for 7-[5-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-yl]-2-[5-(6-fluoro-1,3-benzothiazol-2-yl)thiophen-2-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzoxazole?
The canonical SMILES for 7-[5-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-yl]-2-[5-(6-fluoro-1,3-benzothiazol-2-yl)thiophen-2-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzoxazole is Fc1ccc2nc(-c3ccc(-c4nc5cc6cc7oc(-c8ccc(-c9nc%10ccc(F)cc%10s9)s8)nc7cc6cc5s4)o3)sc2c1.
What is the InChIKey of 7-[5-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-yl]-2-[5-(6-fluoro-1,3-benzothiazol-2-yl)thiophen-2-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzoxazole?
The InChIKey is OWHXYLSTOVUISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H14F2N4O2S4/c35-17-1-3-19-29(13-17)45-32(38-19)23-5-6-24(41-23)33-40-22-10-15-11-25-21(9-16(15)12-28(22)44-33)37-31(42-25)26-7-8-27(43-26)34-39-20-4-2-18(36)14-30(20)46-34/h1-14H.
What are the key properties of 7-[5-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-yl]-2-[5-(6-fluoro-1,3-benzothiazol-2-yl)thiophen-2-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzoxazole?
7-[5-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-yl]-2-[5-(6-fluoro-1,3-benzothiazol-2-yl)thiophen-2-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzoxazole has a molecular weight of 676.78 g/mol, XLogP of 11.41, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-yl]-2-[5-(6-fluoro-1,3-benzothiazol-2-yl)thiophen-2-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzoxazole is sourced from PubChem (CID 169314027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).