dimethyl 2,6-dimethyl-4-(2-methyl-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate

C22H22N4O4S — CID 71662575

IUPACdimethyl 2,6-dimethyl-4-(2-methyl-6-pyridin-4-ylimidazo[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(-c2ccncc2)nc2sc(C)cn12
InChIInChI=1S/C22H22N4O4S/c1-11-10-26-19(18(25-22(26)31-11)14-6-8-23-9-7-14)17-15(20(27)29-4)12(2)24-13(3)16(17)21(28)30-5/h6-10,17,24H,1-5H3
InChIKeyJETJHJYMHICOEU-UHFFFAOYSA-N
MW438.51 g/mol
LogP3.35
Rot. Bonds4

About dimethyl 2,6-dimethyl-4-(2-methyl-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate

dimethyl 2,6-dimethyl-4-(2-methyl-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 71662575) has the molecular formula C22H22N4O4S and a molecular weight of 438.51 g/mol. Its IUPAC name is dimethyl 2,6-dimethyl-4-(2-methyl-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-dimethyl-4-(2-methyl-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID71662575
Molecular FormulaC22H22N4O4S
Molecular Weight438.51 g/mol
Exact Mass438.14
IUPAC Namedimethyl 2,6-dimethyl-4-(2-methyl-6-pyridin-4-ylimidazo[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(-c2ccncc2)nc2sc(C)cn12
InChIInChI=1S/C22H22N4O4S/c1-11-10-26-19(18(25-22(26)31-11)14-6-8-23-9-7-14)17-15(20(27)29-4)12(2)24-13(3)16(17)21(28)30-5/h6-10,17,24H,1-5H3
InChIKeyJETJHJYMHICOEU-UHFFFAOYSA-N
XLogP3.35
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.35
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-(2-methyl-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2,6-dimethyl-4-(2-methyl-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate (CID 71662575) is dimethyl 2,6-dimethyl-4-(2-methyl-6-pyridin-4-ylimidazo[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-(2-methyl-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2,6-dimethyl-4-(2-methyl-6-pyridin-4-ylimidazo[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(-c2ccncc2)nc2sc(C)cn12.
What is the InChIKey of dimethyl 2,6-dimethyl-4-(2-methyl-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is JETJHJYMHICOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4S/c1-11-10-26-19(18(25-22(26)31-11)14-6-8-23-9-7-14)17-15(20(27)29-4)12(2)24-13(3)16(17)21(28)30-5/h6-10,17,24H,1-5H3.
What are the key properties of dimethyl 2,6-dimethyl-4-(2-methyl-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 2,6-dimethyl-4-(2-methyl-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 438.51 g/mol, XLogP of 3.35, 4 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-(2-methyl-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 71662575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).