N-(2,6-dimethylphenyl)-6-(2-fluoro-6-iodophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine

C25H19FIN3S — CID 70832151

IUPACN-(2,6-dimethylphenyl)-6-(2-fluoro-6-iodophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCc1cccc(C)c1Nc1c(-c2c(F)cccc2I)nc2scc(-c3ccccc3)n12
InChIInChI=1S/C25H19FIN3S/c1-15-8-6-9-16(2)22(15)28-24-23(21-18(26)12-7-13-19(21)27)29-25-30(24)20(14-31-25)17-10-4-3-5-11-17/h3-14,28H,1-2H3
InChIKeyRYBGFLBMCGSMDG-UHFFFAOYSA-N
MW539.42 g/mol
LogP7.83
Rot. Bonds4

About N-(2,6-dimethylphenyl)-6-(2-fluoro-6-iodophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine

N-(2,6-dimethylphenyl)-6-(2-fluoro-6-iodophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 70832151) has the molecular formula C25H19FIN3S and a molecular weight of 539.42 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-6-(2-fluoro-6-iodophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-6-(2-fluoro-6-iodophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID70832151
Molecular FormulaC25H19FIN3S
Molecular Weight539.42 g/mol
Exact Mass539.03
IUPAC NameN-(2,6-dimethylphenyl)-6-(2-fluoro-6-iodophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCc1cccc(C)c1Nc1c(-c2c(F)cccc2I)nc2scc(-c3ccccc3)n12
InChIInChI=1S/C25H19FIN3S/c1-15-8-6-9-16(2)22(15)28-24-23(21-18(26)12-7-13-19(21)27)29-25-30(24)20(14-31-25)17-10-4-3-5-11-17/h3-14,28H,1-2H3
InChIKeyRYBGFLBMCGSMDG-UHFFFAOYSA-N
XLogP7.83
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.42
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-6-(2-fluoro-6-iodophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-6-(2-fluoro-6-iodophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine (CID 70832151) is N-(2,6-dimethylphenyl)-6-(2-fluoro-6-iodophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-6-(2-fluoro-6-iodophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-6-(2-fluoro-6-iodophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine is Cc1cccc(C)c1Nc1c(-c2c(F)cccc2I)nc2scc(-c3ccccc3)n12.
What is the InChIKey of N-(2,6-dimethylphenyl)-6-(2-fluoro-6-iodophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is RYBGFLBMCGSMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FIN3S/c1-15-8-6-9-16(2)22(15)28-24-23(21-18(26)12-7-13-19(21)27)29-25-30(24)20(14-31-25)17-10-4-3-5-11-17/h3-14,28H,1-2H3.
What are the key properties of N-(2,6-dimethylphenyl)-6-(2-fluoro-6-iodophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine?
N-(2,6-dimethylphenyl)-6-(2-fluoro-6-iodophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 539.42 g/mol, XLogP of 7.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-6-(2-fluoro-6-iodophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 70832151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).