N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine

C24H20FN3S — CID 59579193

IUPACN-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCc1ccc(F)c(-c2nc3sc4ccccc4n3c2Nc2c(C)cccc2C)c1
InChIInChI=1S/C24H20FN3S/c1-14-11-12-18(25)17(13-14)22-23(26-21-15(2)7-6-8-16(21)3)28-19-9-4-5-10-20(19)29-24(28)27-22/h4-13,26H,1-3H3
InChIKeyBWTDWBDQEVGFAJ-UHFFFAOYSA-N
MW401.51 g/mol
LogP7.02
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine

N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine (PubChem CID 59579193) has the molecular formula C24H20FN3S and a molecular weight of 401.51 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
PubChem CID59579193
Molecular FormulaC24H20FN3S
Molecular Weight401.51 g/mol
Exact Mass401.14
IUPAC NameN-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCc1ccc(F)c(-c2nc3sc4ccccc4n3c2Nc2c(C)cccc2C)c1
InChIInChI=1S/C24H20FN3S/c1-14-11-12-18(25)17(13-14)22-23(26-21-15(2)7-6-8-16(21)3)28-19-9-4-5-10-20(19)29-24(28)27-22/h4-13,26H,1-3H3
InChIKeyBWTDWBDQEVGFAJ-UHFFFAOYSA-N
XLogP7.02
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methylphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 2760645
7-Fluoro-2-(4-dimethylaminophenyl)-imidazo[2,1-b]benzothiazole
CID 24757875
4-Imidazo[2,1-b][1,3]benzothiazol-2-ylaniline
CID 28325580
(4-Imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanamine
CID 28326230
(4-Imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanamine;hydrochloride
CID 51351538
6-Fluoro-2-(4-iodophenyl)imidazo[2,1-b][1,3]benzothiazole
CID 54581540
4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline
CID 54583507
4-(6-Fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline
CID 54584491
2-(4-Biphenylyl)imidazo[2,1-b]benzothiazole
CID 629817
US9884868, Example 55''
CID 122510486
N-(2,6-dimethylphenyl)-5-methyl-2-(thiophen-3-yl)imidazo[1,2-a]pyridin-3-amine
CID 4288210
N-(2-ethyl-6-methylphenyl)-6-phenylimidazo[2,1-b][1,3]thiazol-5-amine
CID 7066912

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine (CID 59579193) is N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine is Cc1ccc(F)c(-c2nc3sc4ccccc4n3c2Nc2c(C)cccc2C)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The InChIKey is BWTDWBDQEVGFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3S/c1-14-11-12-18(25)17(13-14)22-23(26-21-15(2)7-6-8-16(21)3)28-19-9-4-5-10-20(19)29-24(28)27-22/h4-13,26H,1-3H3.
What are the key properties of N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine has a molecular weight of 401.51 g/mol, XLogP of 7.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine is sourced from PubChem (CID 59579193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).