6-(2-fluoro-6-iodophenyl)-N-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine

C18H12F2IN3S — CID 70832089

IUPAC6-(2-fluoro-6-iodophenyl)-N-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCc1csc2nc(-c3c(F)cccc3I)c(Nc3ccc(F)cc3)n12
InChIInChI=1S/C18H12F2IN3S/c1-10-9-25-18-23-16(15-13(20)3-2-4-14(15)21)17(24(10)18)22-12-7-5-11(19)6-8-12/h2-9,22H,1H3
InChIKeyJPDWPXWMYIBHAI-UHFFFAOYSA-N
MW467.28 g/mol
LogP6.00
Rot. Bonds3

About 6-(2-fluoro-6-iodophenyl)-N-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine

6-(2-fluoro-6-iodophenyl)-N-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 70832089) has the molecular formula C18H12F2IN3S and a molecular weight of 467.28 g/mol. Its IUPAC name is 6-(2-fluoro-6-iodophenyl)-N-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound Name6-(2-fluoro-6-iodophenyl)-N-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID70832089
Molecular FormulaC18H12F2IN3S
Molecular Weight467.28 g/mol
Exact Mass466.98
IUPAC Name6-(2-fluoro-6-iodophenyl)-N-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCc1csc2nc(-c3c(F)cccc3I)c(Nc3ccc(F)cc3)n12
InChIInChI=1S/C18H12F2IN3S/c1-10-9-25-18-23-16(15-13(20)3-2-4-14(15)21)17(24(10)18)22-12-7-5-11(19)6-8-12/h2-9,22H,1H3
InChIKeyJPDWPXWMYIBHAI-UHFFFAOYSA-N
XLogP6.00
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.28
LogP ≤ 56.00
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 6-(2-fluoro-6-iodophenyl)-N-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of 6-(2-fluoro-6-iodophenyl)-N-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine (CID 70832089) is 6-(2-fluoro-6-iodophenyl)-N-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for 6-(2-fluoro-6-iodophenyl)-N-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for 6-(2-fluoro-6-iodophenyl)-N-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine is Cc1csc2nc(-c3c(F)cccc3I)c(Nc3ccc(F)cc3)n12.
What is the InChIKey of 6-(2-fluoro-6-iodophenyl)-N-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is JPDWPXWMYIBHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2IN3S/c1-10-9-25-18-23-16(15-13(20)3-2-4-14(15)21)17(24(10)18)22-12-7-5-11(19)6-8-12/h2-9,22H,1H3.
What are the key properties of 6-(2-fluoro-6-iodophenyl)-N-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine?
6-(2-fluoro-6-iodophenyl)-N-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 467.28 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-6-iodophenyl)-N-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 70832089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).