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

C23H20F3N3O5S — CID 24823573

IUPACdimethyl 2,6-dimethyl-4-[6-[3-(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(-c2cccc(OC(F)(F)F)c2)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)8-9-35-22)13-6-5-7-14(10-13)34-23(24,25)26/h5-10,17,27H,1-4H3
InChIKeyCNRYCFMEVIGJCK-UHFFFAOYSA-N
MW507.49 g/mol
LogP4.54
Rot. Bonds5

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

dimethyl 2,6-dimethyl-4-[6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 24823573) has the molecular formula C23H20F3N3O5S and a molecular weight of 507.49 g/mol. Its IUPAC name is dimethyl 2,6-dimethyl-4-[6-[3-(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-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID24823573
Molecular FormulaC23H20F3N3O5S
Molecular Weight507.49 g/mol
Exact Mass507.11
IUPAC Namedimethyl 2,6-dimethyl-4-[6-[3-(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(-c2cccc(OC(F)(F)F)c2)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)8-9-35-22)13-6-5-7-14(10-13)34-23(24,25)26/h5-10,17,27H,1-4H3
InChIKeyCNRYCFMEVIGJCK-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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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-dimethyl-4-[6-[3-(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-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate (CID 24823573) is dimethyl 2,6-dimethyl-4-[6-[3-(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-[3-(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-[3-(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(-c2cccc(OC(F)(F)F)c2)nc2sccn12.
What is the InChIKey of dimethyl 2,6-dimethyl-4-[6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is CNRYCFMEVIGJCK-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)8-9-35-22)13-6-5-7-14(10-13)34-23(24,25)26/h5-10,17,27H,1-4H3.
What are the key properties of dimethyl 2,6-dimethyl-4-[6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 2,6-dimethyl-4-[6-[3-(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-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 24823573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).