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

C25H16F2N4S — CID 53230743

IUPAC6-fluoro-N-(4-fluorophenyl)-2-(6-methylquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCc1ccc2ncc(-c3nc4sc5cc(F)ccc5n4c3Nc3ccc(F)cc3)cc2c1
InChIInChI=1S/C25H16F2N4S/c1-14-2-8-20-15(10-14)11-16(13-28-20)23-24(29-19-6-3-17(26)4-7-19)31-21-9-5-18(27)12-22(21)32-25(31)30-23/h2-13,29H,1H3
InChIKeyXABFUGZMANZXTI-UHFFFAOYSA-N
MW442.49 g/mol
LogP7.09
Rot. Bonds3

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

6-fluoro-N-(4-fluorophenyl)-2-(6-methylquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine (PubChem CID 53230743) has the molecular formula C25H16F2N4S and a molecular weight of 442.49 g/mol. Its IUPAC name is 6-fluoro-N-(4-fluorophenyl)-2-(6-methylquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine.

Molecular Properties

Compound Name6-fluoro-N-(4-fluorophenyl)-2-(6-methylquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine
PubChem CID53230743
Molecular FormulaC25H16F2N4S
Molecular Weight442.49 g/mol
Exact Mass442.11
IUPAC Name6-fluoro-N-(4-fluorophenyl)-2-(6-methylquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCc1ccc2ncc(-c3nc4sc5cc(F)ccc5n4c3Nc3ccc(F)cc3)cc2c1
InChIInChI=1S/C25H16F2N4S/c1-14-2-8-20-15(10-14)11-16(13-28-20)23-24(29-19-6-3-17(26)4-7-19)31-21-9-5-18(27)12-22(21)32-25(31)30-23/h2-13,29H,1H3
InChIKeyXABFUGZMANZXTI-UHFFFAOYSA-N
XLogP7.09
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.49
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-N-(4-fluorophenyl)-2-(6-methylquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine with MolForge

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Related Compounds

(R)-3-methyl-2-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)benzo[d]thiazolo[3,2-a]imidazole
CID 11546387
7-[5,6-Dimethyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]-6-methylquinazoline-2,4-diamine
CID 67889364
4-[3-(aminomethyl)phenyl]-N,12-dimethyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093443
Ikk-IN-4
CID 25093448
N-{4-[2-(Dimethylamino)-1-(1H-imidazol-1-yl)propyl]phenyl}-1,3-benzothiazol-2-amine
CID 9842708
Benzothiazol-2-yl-[4-((1S,2S)-2-dimethylamino-1-imidazol-1-yl-propyl)-phenyl]-amine
CID 9870337
7-Fluoro-2-(4-dimethylaminophenyl)-imidazo[2,1-b]benzothiazole
CID 24757875
4-Imidazo[2,1-b][1,3]benzothiazol-2-ylaniline
CID 28325580
6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrido[3,2-d]pyrimidin-4-amine
CID 68310823
US20230303553, Example 13
CID 169073898
US11058688, Example 93
CID 139530491
6-{(4-Benzothiazol-2-yl-piperazin-1-yl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-quinoline
CID 647101

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-fluorophenyl)-2-(6-methylquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The IUPAC name of 6-fluoro-N-(4-fluorophenyl)-2-(6-methylquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine (CID 53230743) is 6-fluoro-N-(4-fluorophenyl)-2-(6-methylquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine.
What is the SMILES notation for 6-fluoro-N-(4-fluorophenyl)-2-(6-methylquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The canonical SMILES for 6-fluoro-N-(4-fluorophenyl)-2-(6-methylquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine is Cc1ccc2ncc(-c3nc4sc5cc(F)ccc5n4c3Nc3ccc(F)cc3)cc2c1.
What is the InChIKey of 6-fluoro-N-(4-fluorophenyl)-2-(6-methylquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The InChIKey is XABFUGZMANZXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F2N4S/c1-14-2-8-20-15(10-14)11-16(13-28-20)23-24(29-19-6-3-17(26)4-7-19)31-21-9-5-18(27)12-22(21)32-25(31)30-23/h2-13,29H,1H3.
What are the key properties of 6-fluoro-N-(4-fluorophenyl)-2-(6-methylquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
6-fluoro-N-(4-fluorophenyl)-2-(6-methylquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine has a molecular weight of 442.49 g/mol, XLogP of 7.09, 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-methylquinolin-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine is sourced from PubChem (CID 53230743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).