dimethyl 2,6-dimethyl-4-[6-[2-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate

C23H20F3N3O5S — CID 24822926

IUPACdimethyl 2,6-dimethyl-4-[6-[2-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(-c2ccccc2OC(F)(F)F)nc2sccn12
InChIInChI=1S/C23H20F3N3O5S/c1-11-15(20(30)32-3)17(16(12(2)27-11)21(31)33-4)19-18(28-22-29(19)9-10-35-22)13-7-5-6-8-14(13)34-23(24,25)26/h5-10,17,27H,1-4H3
InChIKeyGZSDVNMAWCIKLR-UHFFFAOYSA-N
MW507.49 g/mol
LogP4.54
Rot. Bonds5

About dimethyl 2,6-dimethyl-4-[6-[2-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate

dimethyl 2,6-dimethyl-4-[6-[2-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 24822926) has the molecular formula C23H20F3N3O5S and a molecular weight of 507.49 g/mol. Its IUPAC name is dimethyl 2,6-dimethyl-4-[6-[2-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-dimethyl-4-[6-[2-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID24822926
Molecular FormulaC23H20F3N3O5S
Molecular Weight507.49 g/mol
Exact Mass507.11
IUPAC Namedimethyl 2,6-dimethyl-4-[6-[2-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(-c2ccccc2OC(F)(F)F)nc2sccn12
InChIInChI=1S/C23H20F3N3O5S/c1-11-15(20(30)32-3)17(16(12(2)27-11)21(31)33-4)19-18(28-22-29(19)9-10-35-22)13-7-5-6-8-14(13)34-23(24,25)26/h5-10,17,27H,1-4H3
InChIKeyGZSDVNMAWCIKLR-UHFFFAOYSA-N
XLogP4.54
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.49
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

Diethyl 2,6-dimethyl-4-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 53261375
Dimethyl 2,6-dimethyl-4-[6-[2-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 24822925
Dimethyl 4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 24822927
Dimethyl 4-[6-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 24822928
Dimethyl 4-[6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 24823077
Dimethyl 4-[6-(2,5-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 24823240
Dimethyl 2,6-dimethyl-4-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 24823572
Dimethyl 2,6-dimethyl-4-[6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 24823573
Dimethyl 4-[6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 24823574
Dimethyl 4-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 24823575
Dimethyl 4-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 24823576
Dimethyl 2,6-dimethyl-4-[6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 24823723

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-dimethyl-4-[6-[2-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2,6-dimethyl-4-[6-[2-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate (CID 24822926) is dimethyl 2,6-dimethyl-4-[6-[2-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,6-dimethyl-4-[6-[2-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2,6-dimethyl-4-[6-[2-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate is COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(-c2ccccc2OC(F)(F)F)nc2sccn12.
What is the InChIKey of dimethyl 2,6-dimethyl-4-[6-[2-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is GZSDVNMAWCIKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O5S/c1-11-15(20(30)32-3)17(16(12(2)27-11)21(31)33-4)19-18(28-22-29(19)9-10-35-22)13-7-5-6-8-14(13)34-23(24,25)26/h5-10,17,27H,1-4H3.
What are the key properties of dimethyl 2,6-dimethyl-4-[6-[2-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 2,6-dimethyl-4-[6-[2-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 507.49 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-dimethyl-4-[6-[2-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 24822926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).