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

C23H23N3O5S — CID 24822927

IUPACdimethyl 4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(-c2cccc(OC)c2)nc2sccn12
InChIInChI=1S/C23H23N3O5S/c1-12-16(21(27)30-4)18(17(13(2)24-12)22(28)31-5)20-19(25-23-26(20)9-10-32-23)14-7-6-8-15(11-14)29-3/h6-11,18,24H,1-5H3
InChIKeyFSIQXUICPOXCJV-UHFFFAOYSA-N
MW453.52 g/mol
LogP3.65
Rot. Bonds5

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

dimethyl 4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 24822927) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is dimethyl 4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID24822927
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC Namedimethyl 4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(-c2cccc(OC)c2)nc2sccn12
InChIInChI=1S/C23H23N3O5S/c1-12-16(21(27)30-4)18(17(13(2)24-12)22(28)31-5)20-19(25-23-26(20)9-10-32-23)14-7-6-8-15(11-14)29-3/h6-11,18,24H,1-5H3
InChIKeyFSIQXUICPOXCJV-UHFFFAOYSA-N
XLogP3.65
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of 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) is dimethyl 4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(-c2cccc(OC)c2)nc2sccn12.
What is the InChIKey of dimethyl 4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is FSIQXUICPOXCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-12-16(21(27)30-4)18(17(13(2)24-12)22(28)31-5)20-19(25-23-26(20)9-10-32-23)14-7-6-8-15(11-14)29-3/h6-11,18,24H,1-5H3.
What are the key properties of dimethyl 4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 453.52 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 24822927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).