6-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazol-5-amine

C21H19ClFN3S — CID 70832437

IUPAC6-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCCc1csc2nc(-c3ccc(F)cc3Cl)c(Nc3c(C)cccc3C)n12
InChIInChI=1S/C21H19ClFN3S/c1-4-15-11-27-21-25-19(16-9-8-14(23)10-17(16)22)20(26(15)21)24-18-12(2)6-5-7-13(18)3/h5-11,24H,4H2,1-3H3
InChIKeyAPNYJUMKGQPUMO-UHFFFAOYSA-N
MW399.92 g/mol
LogP6.78
Rot. Bonds4

About 6-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazol-5-amine

6-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 70832437) has the molecular formula C21H19ClFN3S and a molecular weight of 399.92 g/mol. Its IUPAC name is 6-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound Name6-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID70832437
Molecular FormulaC21H19ClFN3S
Molecular Weight399.92 g/mol
Exact Mass399.10
IUPAC Name6-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCCc1csc2nc(-c3ccc(F)cc3Cl)c(Nc3c(C)cccc3C)n12
InChIInChI=1S/C21H19ClFN3S/c1-4-15-11-27-21-25-19(16-9-8-14(23)10-17(16)22)20(26(15)21)24-18-12(2)6-5-7-13(18)3/h5-11,24H,4H2,1-3H3
InChIKeyAPNYJUMKGQPUMO-UHFFFAOYSA-N
XLogP6.78
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.92
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of 6-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazol-5-amine (CID 70832437) is 6-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for 6-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for 6-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazol-5-amine is CCc1csc2nc(-c3ccc(F)cc3Cl)c(Nc3c(C)cccc3C)n12.
What is the InChIKey of 6-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is APNYJUMKGQPUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3S/c1-4-15-11-27-21-25-19(16-9-8-14(23)10-17(16)22)20(26(15)21)24-18-12(2)6-5-7-13(18)3/h5-11,24H,4H2,1-3H3.
What are the key properties of 6-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazol-5-amine?
6-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 399.92 g/mol, XLogP of 6.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-fluorophenyl)-N-(2,6-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 70832437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).