6-fluoro-N-(4-fluorophenyl)-2-(5-methoxy-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine

C24H16F2N4OS — CID 53230746

IUPAC6-fluoro-N-(4-fluorophenyl)-2-(5-methoxy-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCOc1ccc2[nH]cc(-c3nc4sc5cc(F)ccc5n4c3Nc3ccc(F)cc3)c2c1
InChIInChI=1S/C24H16F2N4OS/c1-31-16-7-8-19-17(11-16)18(12-27-19)22-23(28-15-5-2-13(25)3-6-15)30-20-9-4-14(26)10-21(20)32-24(30)29-22/h2-12,27-28H,1H3
InChIKeyHECQZBUCVRKRSD-UHFFFAOYSA-N
MW446.48 g/mol
LogP6.73
Rot. Bonds4

About 6-fluoro-N-(4-fluorophenyl)-2-(5-methoxy-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine

6-fluoro-N-(4-fluorophenyl)-2-(5-methoxy-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine (PubChem CID 53230746) has the molecular formula C24H16F2N4OS and a molecular weight of 446.48 g/mol. Its IUPAC name is 6-fluoro-N-(4-fluorophenyl)-2-(5-methoxy-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine.

Molecular Properties

Compound Name6-fluoro-N-(4-fluorophenyl)-2-(5-methoxy-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine
PubChem CID53230746
Molecular FormulaC24H16F2N4OS
Molecular Weight446.48 g/mol
Exact Mass446.10
IUPAC Name6-fluoro-N-(4-fluorophenyl)-2-(5-methoxy-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCOc1ccc2[nH]cc(-c3nc4sc5cc(F)ccc5n4c3Nc3ccc(F)cc3)c2c1
InChIInChI=1S/C24H16F2N4OS/c1-31-16-7-8-19-17(11-16)18(12-27-19)22-23(28-15-5-2-13(25)3-6-15)30-20-9-4-14(26)10-21(20)32-24(30)29-22/h2-12,27-28H,1H3
InChIKeyHECQZBUCVRKRSD-UHFFFAOYSA-N
XLogP6.73
TPSA54.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.48
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-fluorophenyl)-2-(5-methoxy-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The IUPAC name of 6-fluoro-N-(4-fluorophenyl)-2-(5-methoxy-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine (CID 53230746) is 6-fluoro-N-(4-fluorophenyl)-2-(5-methoxy-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine.
What is the SMILES notation for 6-fluoro-N-(4-fluorophenyl)-2-(5-methoxy-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The canonical SMILES for 6-fluoro-N-(4-fluorophenyl)-2-(5-methoxy-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine is COc1ccc2[nH]cc(-c3nc4sc5cc(F)ccc5n4c3Nc3ccc(F)cc3)c2c1.
What is the InChIKey of 6-fluoro-N-(4-fluorophenyl)-2-(5-methoxy-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The InChIKey is HECQZBUCVRKRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N4OS/c1-31-16-7-8-19-17(11-16)18(12-27-19)22-23(28-15-5-2-13(25)3-6-15)30-20-9-4-14(26)10-21(20)32-24(30)29-22/h2-12,27-28H,1H3.
What are the key properties of 6-fluoro-N-(4-fluorophenyl)-2-(5-methoxy-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
6-fluoro-N-(4-fluorophenyl)-2-(5-methoxy-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine has a molecular weight of 446.48 g/mol, XLogP of 6.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-fluorophenyl)-2-(5-methoxy-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine is sourced from PubChem (CID 53230746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).