6-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine

C20H17F2N3S — CID 59579087

IUPAC6-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCc1cccc(C)c1Nc1c(-c2c(F)cccc2F)nc2scc(C)n12
InChIInChI=1S/C20H17F2N3S/c1-11-6-4-7-12(2)17(11)23-19-18(16-14(21)8-5-9-15(16)22)24-20-25(19)13(3)10-26-20/h4-10,23H,1-3H3
InChIKeyXOROKAJITNOBFE-UHFFFAOYSA-N
MW369.44 g/mol
LogP6.01
Rot. Bonds3

About 6-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine

6-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 59579087) has the molecular formula C20H17F2N3S and a molecular weight of 369.44 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID59579087
Molecular FormulaC20H17F2N3S
Molecular Weight369.44 g/mol
Exact Mass369.11
IUPAC Name6-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCc1cccc(C)c1Nc1c(-c2c(F)cccc2F)nc2scc(C)n12
InChIInChI=1S/C20H17F2N3S/c1-11-6-4-7-12(2)17(11)23-19-18(16-14(21)8-5-9-15(16)22)24-20-25(19)13(3)10-26-20/h4-10,23H,1-3H3
InChIKeyXOROKAJITNOBFE-UHFFFAOYSA-N
XLogP6.01
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.44
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of 6-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine (CID 59579087) is 6-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for 6-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for 6-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine is Cc1cccc(C)c1Nc1c(-c2c(F)cccc2F)nc2scc(C)n12.
What is the InChIKey of 6-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is XOROKAJITNOBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3S/c1-11-6-4-7-12(2)17(11)23-19-18(16-14(21)8-5-9-15(16)22)24-20-25(19)13(3)10-26-20/h4-10,23H,1-3H3.
What are the key properties of 6-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine?
6-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 369.44 g/mol, XLogP of 6.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 59579087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).