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

C20H16ClF2N3S — CID 59579210

IUPACN-(2-chloro-6-methylphenyl)-6-(2,6-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCc1cccc(Cl)c1Nc1c(-c2c(F)cccc2F)nc2sc(C)c(C)n12
InChIInChI=1S/C20H16ClF2N3S/c1-10-6-4-7-13(21)17(10)24-19-18(16-14(22)8-5-9-15(16)23)25-20-26(19)11(2)12(3)27-20/h4-9,24H,1-3H3
InChIKeyKMUCVACXHCBEJA-UHFFFAOYSA-N
MW403.89 g/mol
LogP6.66
Rot. Bonds3

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

N-(2-chloro-6-methylphenyl)-6-(2,6-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 59579210) has the molecular formula C20H16ClF2N3S and a molecular weight of 403.89 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-6-(2,6-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-6-(2,6-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID59579210
Molecular FormulaC20H16ClF2N3S
Molecular Weight403.89 g/mol
Exact Mass403.07
IUPAC NameN-(2-chloro-6-methylphenyl)-6-(2,6-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCc1cccc(Cl)c1Nc1c(-c2c(F)cccc2F)nc2sc(C)c(C)n12
InChIInChI=1S/C20H16ClF2N3S/c1-10-6-4-7-13(21)17(10)24-19-18(16-14(22)8-5-9-15(16)23)25-20-26(19)11(2)12(3)27-20/h4-9,24H,1-3H3
InChIKeyKMUCVACXHCBEJA-UHFFFAOYSA-N
XLogP6.66
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.89
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-6-(2,6-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of N-(2-chloro-6-methylphenyl)-6-(2,6-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine (CID 59579210) is N-(2-chloro-6-methylphenyl)-6-(2,6-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-6-(2,6-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-6-(2,6-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine is Cc1cccc(Cl)c1Nc1c(-c2c(F)cccc2F)nc2sc(C)c(C)n12.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-6-(2,6-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is KMUCVACXHCBEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2N3S/c1-10-6-4-7-13(21)17(10)24-19-18(16-14(22)8-5-9-15(16)23)25-20-26(19)11(2)12(3)27-20/h4-9,24H,1-3H3.
What are the key properties of N-(2-chloro-6-methylphenyl)-6-(2,6-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine?
N-(2-chloro-6-methylphenyl)-6-(2,6-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 403.89 g/mol, XLogP of 6.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-6-(2,6-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 59579210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).