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

C23H20F3N3O4S — CID 24822925

IUPACdimethyl 2,6-dimethyl-4-[6-[2-(trifluoromethyl)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(-c2ccccc2C(F)(F)F)nc2sccn12
InChIInChI=1S/C23H20F3N3O4S/c1-11-15(20(30)32-3)17(16(12(2)27-11)21(31)33-4)19-18(28-22-29(19)9-10-34-22)13-7-5-6-8-14(13)23(24,25)26/h5-10,17,27H,1-4H3
InChIKeyHPLQRALNMBFLCZ-UHFFFAOYSA-N
MW491.49 g/mol
LogP4.66
Rot. Bonds4

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

dimethyl 2,6-dimethyl-4-[6-[2-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 24822925) has the molecular formula C23H20F3N3O4S and a molecular weight of 491.49 g/mol. Its IUPAC name is dimethyl 2,6-dimethyl-4-[6-[2-(trifluoromethyl)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-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID24822925
Molecular FormulaC23H20F3N3O4S
Molecular Weight491.49 g/mol
Exact Mass491.11
IUPAC Namedimethyl 2,6-dimethyl-4-[6-[2-(trifluoromethyl)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(-c2ccccc2C(F)(F)F)nc2sccn12
InChIInChI=1S/C23H20F3N3O4S/c1-11-15(20(30)32-3)17(16(12(2)27-11)21(31)33-4)19-18(28-22-29(19)9-10-34-22)13-7-5-6-8-14(13)23(24,25)26/h5-10,17,27H,1-4H3
InChIKeyHPLQRALNMBFLCZ-UHFFFAOYSA-N
XLogP4.66
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.49
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-dimethyl-4-[6-[2-(trifluoromethyl)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-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate (CID 24822925) is dimethyl 2,6-dimethyl-4-[6-[2-(trifluoromethyl)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-(trifluoromethyl)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-(trifluoromethyl)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(-c2ccccc2C(F)(F)F)nc2sccn12.
What is the InChIKey of dimethyl 2,6-dimethyl-4-[6-[2-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is HPLQRALNMBFLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O4S/c1-11-15(20(30)32-3)17(16(12(2)27-11)21(31)33-4)19-18(28-22-29(19)9-10-34-22)13-7-5-6-8-14(13)23(24,25)26/h5-10,17,27H,1-4H3.
What are the key properties of dimethyl 2,6-dimethyl-4-[6-[2-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 2,6-dimethyl-4-[6-[2-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 491.49 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-dimethyl-4-[6-[2-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 24822925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).