N-(4-fluorophenyl)-6-(3-iodo-4-pyridinyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine

C18H14FIN4S — CID 70832082

IUPACN-(4-fluorophenyl)-6-(3-iodo-4-pyridinyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCc1sc2nc(-c3ccncc3I)c(Nc3ccc(F)cc3)n2c1C
InChIInChI=1S/C18H14FIN4S/c1-10-11(2)25-18-23-16(14-7-8-21-9-15(14)20)17(24(10)18)22-13-5-3-12(19)4-6-13/h3-9,22H,1-2H3
InChIKeyUROPERWRZRPPSU-UHFFFAOYSA-N
MW464.31 g/mol
LogP5.56
Rot. Bonds3

About N-(4-fluorophenyl)-6-(3-iodo-4-pyridinyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine

N-(4-fluorophenyl)-6-(3-iodo-4-pyridinyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 70832082) has the molecular formula C18H14FIN4S and a molecular weight of 464.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-(3-iodo-4-pyridinyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-(3-iodo-4-pyridinyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID70832082
Molecular FormulaC18H14FIN4S
Molecular Weight464.31 g/mol
Exact Mass464.00
IUPAC NameN-(4-fluorophenyl)-6-(3-iodo-4-pyridinyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCc1sc2nc(-c3ccncc3I)c(Nc3ccc(F)cc3)n2c1C
InChIInChI=1S/C18H14FIN4S/c1-10-11(2)25-18-23-16(14-7-8-21-9-15(14)20)17(24(10)18)22-13-5-3-12(19)4-6-13/h3-9,22H,1-2H3
InChIKeyUROPERWRZRPPSU-UHFFFAOYSA-N
XLogP5.56
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.31
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-fluorophenyl)-6-(3-iodo-4-pyridinyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of N-(4-fluorophenyl)-6-(3-iodo-4-pyridinyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine (CID 70832082) is N-(4-fluorophenyl)-6-(3-iodo-4-pyridinyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for N-(4-fluorophenyl)-6-(3-iodo-4-pyridinyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for N-(4-fluorophenyl)-6-(3-iodo-4-pyridinyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine is Cc1sc2nc(-c3ccncc3I)c(Nc3ccc(F)cc3)n2c1C.
What is the InChIKey of N-(4-fluorophenyl)-6-(3-iodo-4-pyridinyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is UROPERWRZRPPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FIN4S/c1-10-11(2)25-18-23-16(14-7-8-21-9-15(14)20)17(24(10)18)22-13-5-3-12(19)4-6-13/h3-9,22H,1-2H3.
What are the key properties of N-(4-fluorophenyl)-6-(3-iodo-4-pyridinyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine?
N-(4-fluorophenyl)-6-(3-iodo-4-pyridinyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 464.31 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-(3-iodo-4-pyridinyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 70832082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).