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

C22H22FN3S — CID 71016402

IUPACN-(2,6-dimethylphenyl)-6-(2-fluoro-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCc1cccc(C)c1Nc1c(-c2c(C)cccc2F)nc2sc(C)c(C)n12
InChIInChI=1S/C22H22FN3S/c1-12-8-7-11-17(23)18(12)20-21(24-19-13(2)9-6-10-14(19)3)26-15(4)16(5)27-22(26)25-20/h6-11,24H,1-5H3
InChIKeyBGKXPGOQDOEPRY-UHFFFAOYSA-N
MW379.50 g/mol
LogP6.49
Rot. Bonds3

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

N-(2,6-dimethylphenyl)-6-(2-fluoro-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 71016402) has the molecular formula C22H22FN3S and a molecular weight of 379.50 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-6-(2-fluoro-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-6-(2-fluoro-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID71016402
Molecular FormulaC22H22FN3S
Molecular Weight379.50 g/mol
Exact Mass379.15
IUPAC NameN-(2,6-dimethylphenyl)-6-(2-fluoro-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCc1cccc(C)c1Nc1c(-c2c(C)cccc2F)nc2sc(C)c(C)n12
InChIInChI=1S/C22H22FN3S/c1-12-8-7-11-17(23)18(12)20-21(24-19-13(2)9-6-10-14(19)3)26-15(4)16(5)27-22(26)25-20/h6-11,24H,1-5H3
InChIKeyBGKXPGOQDOEPRY-UHFFFAOYSA-N
XLogP6.49
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-6-(2-fluoro-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-6-(2-fluoro-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine (CID 71016402) is N-(2,6-dimethylphenyl)-6-(2-fluoro-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-6-(2-fluoro-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-6-(2-fluoro-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine is Cc1cccc(C)c1Nc1c(-c2c(C)cccc2F)nc2sc(C)c(C)n12.
What is the InChIKey of N-(2,6-dimethylphenyl)-6-(2-fluoro-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is BGKXPGOQDOEPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3S/c1-12-8-7-11-17(23)18(12)20-21(24-19-13(2)9-6-10-14(19)3)26-15(4)16(5)27-22(26)25-20/h6-11,24H,1-5H3.
What are the key properties of N-(2,6-dimethylphenyl)-6-(2-fluoro-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine?
N-(2,6-dimethylphenyl)-6-(2-fluoro-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 379.50 g/mol, XLogP of 6.49, 3 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-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 71016402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).