6-fluoro-N-(4-fluorophenyl)-2-(6-fluoroquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine

C24H13F3N4S — CID 52953301

IUPAC6-fluoro-N-(4-fluorophenyl)-2-(6-fluoroquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESFc1ccc(Nc2c(-c3cnc4ccc(F)cc4c3)nc3sc4cc(F)ccc4n23)cc1
InChIInChI=1S/C24H13F3N4S/c25-15-1-5-18(6-2-15)29-23-22(14-9-13-10-16(26)3-7-19(13)28-12-14)30-24-31(23)20-8-4-17(27)11-21(20)32-24/h1-12,29H
InChIKeyBNWPGSOLIPJTST-UHFFFAOYSA-N
MW446.46 g/mol
LogP6.93
Rot. Bonds3

About 6-fluoro-N-(4-fluorophenyl)-2-(6-fluoroquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine

6-fluoro-N-(4-fluorophenyl)-2-(6-fluoroquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine (PubChem CID 52953301) has the molecular formula C24H13F3N4S and a molecular weight of 446.46 g/mol. Its IUPAC name is 6-fluoro-N-(4-fluorophenyl)-2-(6-fluoroquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine.

Molecular Properties

Compound Name6-fluoro-N-(4-fluorophenyl)-2-(6-fluoroquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine
PubChem CID52953301
Molecular FormulaC24H13F3N4S
Molecular Weight446.46 g/mol
Exact Mass446.08
IUPAC Name6-fluoro-N-(4-fluorophenyl)-2-(6-fluoroquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESFc1ccc(Nc2c(-c3cnc4ccc(F)cc4c3)nc3sc4cc(F)ccc4n23)cc1
InChIInChI=1S/C24H13F3N4S/c25-15-1-5-18(6-2-15)29-23-22(14-9-13-10-16(26)3-7-19(13)28-12-14)30-24-31(23)20-8-4-17(27)11-21(20)32-24/h1-12,29H
InChIKeyBNWPGSOLIPJTST-UHFFFAOYSA-N
XLogP6.93
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.46
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-fluorophenyl)-2-(6-fluoroquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The IUPAC name of 6-fluoro-N-(4-fluorophenyl)-2-(6-fluoroquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine (CID 52953301) is 6-fluoro-N-(4-fluorophenyl)-2-(6-fluoroquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine.
What is the SMILES notation for 6-fluoro-N-(4-fluorophenyl)-2-(6-fluoroquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The canonical SMILES for 6-fluoro-N-(4-fluorophenyl)-2-(6-fluoroquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine is Fc1ccc(Nc2c(-c3cnc4ccc(F)cc4c3)nc3sc4cc(F)ccc4n23)cc1.
What is the InChIKey of 6-fluoro-N-(4-fluorophenyl)-2-(6-fluoroquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The InChIKey is BNWPGSOLIPJTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13F3N4S/c25-15-1-5-18(6-2-15)29-23-22(14-9-13-10-16(26)3-7-19(13)28-12-14)30-24-31(23)20-8-4-17(27)11-21(20)32-24/h1-12,29H.
What are the key properties of 6-fluoro-N-(4-fluorophenyl)-2-(6-fluoroquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
6-fluoro-N-(4-fluorophenyl)-2-(6-fluoroquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine has a molecular weight of 446.46 g/mol, XLogP of 6.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-fluorophenyl)-2-(6-fluoroquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine is sourced from PubChem (CID 52953301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).