3-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-N-phenylimidazol-4-amine

C22H15FN4S — CID 90146387

IUPAC3-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-N-phenylimidazol-4-amine
SMILESFc1ccc2nc(-c3ccc(-n4cncc4Nc4ccccc4)cc3)sc2c1
InChIInChI=1S/C22H15FN4S/c23-16-8-11-19-20(12-16)28-22(26-19)15-6-9-18(10-7-15)27-14-24-13-21(27)25-17-4-2-1-3-5-17/h1-14,25H
InChIKeyJYGXZMQLTJRCMS-UHFFFAOYSA-N
MW386.46 g/mol
LogP6.03
Rot. Bonds4

About 3-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-N-phenylimidazol-4-amine

3-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-N-phenylimidazol-4-amine (PubChem CID 90146387) has the molecular formula C22H15FN4S and a molecular weight of 386.46 g/mol. Its IUPAC name is 3-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-N-phenylimidazol-4-amine.

Molecular Properties

Compound Name3-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-N-phenylimidazol-4-amine
PubChem CID90146387
Molecular FormulaC22H15FN4S
Molecular Weight386.46 g/mol
Exact Mass386.10
IUPAC Name3-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-N-phenylimidazol-4-amine
SMILESFc1ccc2nc(-c3ccc(-n4cncc4Nc4ccccc4)cc3)sc2c1
InChIInChI=1S/C22H15FN4S/c23-16-8-11-19-20(12-16)28-22(26-19)15-6-9-18(10-7-15)27-14-24-13-21(27)25-17-4-2-1-3-5-17/h1-14,25H
InChIKeyJYGXZMQLTJRCMS-UHFFFAOYSA-N
XLogP6.03
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.46
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-N-phenylimidazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-2-[4-[5-(4-methylphenyl)imidazol-1-yl]phenyl]-1,3-benzothiazole
CID 118081992
2-[4-[5-(3,4-dinitrophenyl)imidazol-1-yl]phenyl]-6-fluoro-1,3-benzothiazole
CID 118085020
[4-[3-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]imidazol-4-yl]-3-(hydroxymethyl)-5-methoxyphenyl]methanol
CID 118081993
N-(4-methoxyphenyl)-3-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)phenyl]imidazol-4-amine
CID 90146224
2-(3,5-dichlorophenyl)-6-fluoro-1,3-benzothiazole
CID 50850016
2-[4-[2-(4-chlorophenyl)-5-methylpyrrol-1-yl]phenyl]-6-fluoro-1,3-benzothiazole
CID 155811236
6-fluoro-2-(3,4,5-trichlorophenyl)-1,3-benzothiazole
CID 50850082
6-fluoro-2-(4-nitrophenyl)-1,3-benzothiazole
CID 10588362
4-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide
CID 50850273
2-(4-fluorophenyl)-1,3-benzothiazol-6-ol
CID 16734166
2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
CID 25233596
2-(4-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 25233597

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-N-phenylimidazol-4-amine?
The IUPAC name of 3-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-N-phenylimidazol-4-amine (CID 90146387) is 3-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-N-phenylimidazol-4-amine.
What is the SMILES notation for 3-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-N-phenylimidazol-4-amine?
The canonical SMILES for 3-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-N-phenylimidazol-4-amine is Fc1ccc2nc(-c3ccc(-n4cncc4Nc4ccccc4)cc3)sc2c1.
What is the InChIKey of 3-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-N-phenylimidazol-4-amine?
The InChIKey is JYGXZMQLTJRCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4S/c23-16-8-11-19-20(12-16)28-22(26-19)15-6-9-18(10-7-15)27-14-24-13-21(27)25-17-4-2-1-3-5-17/h1-14,25H.
What are the key properties of 3-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-N-phenylimidazol-4-amine?
3-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-N-phenylimidazol-4-amine has a molecular weight of 386.46 g/mol, XLogP of 6.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-N-phenylimidazol-4-amine is sourced from PubChem (CID 90146387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).