6-(4-fluoro-2-iodophenyl)-N-(2-iodo-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine

C20H16FI2N3S — CID 70832440

IUPAC6-(4-fluoro-2-iodophenyl)-N-(2-iodo-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCc1cccc(I)c1Nc1c(-c2ccc(F)cc2I)nc2sc(C)c(C)n12
InChIInChI=1S/C20H16FI2N3S/c1-10-5-4-6-15(22)17(10)24-19-18(14-8-7-13(21)9-16(14)23)25-20-26(19)11(2)12(3)27-20/h4-9,24H,1-3H3
InChIKeyLGDHUUYKXHWSQL-UHFFFAOYSA-N
MW603.24 g/mol
LogP7.08
Rot. Bonds3

About 6-(4-fluoro-2-iodophenyl)-N-(2-iodo-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine

6-(4-fluoro-2-iodophenyl)-N-(2-iodo-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 70832440) has the molecular formula C20H16FI2N3S and a molecular weight of 603.24 g/mol. Its IUPAC name is 6-(4-fluoro-2-iodophenyl)-N-(2-iodo-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound Name6-(4-fluoro-2-iodophenyl)-N-(2-iodo-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID70832440
Molecular FormulaC20H16FI2N3S
Molecular Weight603.24 g/mol
Exact Mass602.91
IUPAC Name6-(4-fluoro-2-iodophenyl)-N-(2-iodo-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCc1cccc(I)c1Nc1c(-c2ccc(F)cc2I)nc2sc(C)c(C)n12
InChIInChI=1S/C20H16FI2N3S/c1-10-5-4-6-15(22)17(10)24-19-18(14-8-7-13(21)9-16(14)23)25-20-26(19)11(2)12(3)27-20/h4-9,24H,1-3H3
InChIKeyLGDHUUYKXHWSQL-UHFFFAOYSA-N
XLogP7.08
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.24
LogP ≤ 57.08
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-(4-fluoro-2-iodophenyl)-N-(2-iodo-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of 6-(4-fluoro-2-iodophenyl)-N-(2-iodo-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine (CID 70832440) is 6-(4-fluoro-2-iodophenyl)-N-(2-iodo-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for 6-(4-fluoro-2-iodophenyl)-N-(2-iodo-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for 6-(4-fluoro-2-iodophenyl)-N-(2-iodo-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine is Cc1cccc(I)c1Nc1c(-c2ccc(F)cc2I)nc2sc(C)c(C)n12.
What is the InChIKey of 6-(4-fluoro-2-iodophenyl)-N-(2-iodo-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is LGDHUUYKXHWSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FI2N3S/c1-10-5-4-6-15(22)17(10)24-19-18(14-8-7-13(21)9-16(14)23)25-20-26(19)11(2)12(3)27-20/h4-9,24H,1-3H3.
What are the key properties of 6-(4-fluoro-2-iodophenyl)-N-(2-iodo-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine?
6-(4-fluoro-2-iodophenyl)-N-(2-iodo-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 603.24 g/mol, XLogP of 7.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-2-iodophenyl)-N-(2-iodo-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 70832440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).