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

C25H27N3O7S — CID 24823723

IUPACdimethyl 2,6-dimethyl-4-[6-(3,4,5-trimethoxyphenyl)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(-c2cc(OC)c(OC)c(OC)c2)nc2sccn12
InChIInChI=1S/C25H27N3O7S/c1-12-17(23(29)34-6)19(18(13(2)26-12)24(30)35-7)21-20(27-25-28(21)8-9-36-25)14-10-15(31-3)22(33-5)16(11-14)32-4/h8-11,19,26H,1-7H3
InChIKeyGFECPSWGPHZOLX-UHFFFAOYSA-N
MW513.57 g/mol
LogP3.67
Rot. Bonds7

About 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

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 (PubChem CID 24823723) has the molecular formula C25H27N3O7S and a molecular weight of 513.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namedimethyl 2,6-dimethyl-4-[6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID24823723
Molecular FormulaC25H27N3O7S
Molecular Weight513.57 g/mol
Exact Mass513.16
IUPAC Namedimethyl 2,6-dimethyl-4-[6-(3,4,5-trimethoxyphenyl)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(-c2cc(OC)c(OC)c(OC)c2)nc2sccn12
InChIInChI=1S/C25H27N3O7S/c1-12-17(23(29)34-6)19(18(13(2)26-12)24(30)35-7)21-20(27-25-28(21)8-9-36-25)14-10-15(31-3)22(33-5)16(11-14)32-4/h8-11,19,26H,1-7H3
InChIKeyGFECPSWGPHZOLX-UHFFFAOYSA-N
XLogP3.67
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.57
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(-c2cc(OC)c(OC)c(OC)c2)nc2sccn12.
What is the InChIKey of 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?
The InChIKey is GFECPSWGPHZOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O7S/c1-12-17(23(29)34-6)19(18(13(2)26-12)24(30)35-7)21-20(27-25-28(21)8-9-36-25)14-10-15(31-3)22(33-5)16(11-14)32-4/h8-11,19,26H,1-7H3.
What are the key properties of 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?
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 has a molecular weight of 513.57 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 24823723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).