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

C24H25N3O6S — CID 24823575

IUPACdimethyl 4-[6-(2,5-dimethoxyphenyl)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(-c2cc(OC)ccc2OC)nc2sccn12
InChIInChI=1S/C24H25N3O6S/c1-12-17(22(28)32-5)19(18(13(2)25-12)23(29)33-6)21-20(26-24-27(21)9-10-34-24)15-11-14(30-3)7-8-16(15)31-4/h7-11,19,25H,1-6H3
InChIKeyXSPXMNKPLQUBTQ-UHFFFAOYSA-N
MW483.55 g/mol
LogP3.66
Rot. Bonds6

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

dimethyl 4-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 24823575) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is dimethyl 4-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID24823575
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC Namedimethyl 4-[6-(2,5-dimethoxyphenyl)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(-c2cc(OC)ccc2OC)nc2sccn12
InChIInChI=1S/C24H25N3O6S/c1-12-17(22(28)32-5)19(18(13(2)25-12)23(29)33-6)21-20(26-24-27(21)9-10-34-24)15-11-14(30-3)7-8-16(15)31-4/h7-11,19,25H,1-6H3
InChIKeyXSPXMNKPLQUBTQ-UHFFFAOYSA-N
XLogP3.66
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[6-(2,5-dimethoxyphenyl)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-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CID 24823575) is dimethyl 4-[6-(2,5-dimethoxyphenyl)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-(2,5-dimethoxyphenyl)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-(2,5-dimethoxyphenyl)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(-c2cc(OC)ccc2OC)nc2sccn12.
What is the InChIKey of dimethyl 4-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is XSPXMNKPLQUBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-12-17(22(28)32-5)19(18(13(2)25-12)23(29)33-6)21-20(26-24-27(21)9-10-34-24)15-11-14(30-3)7-8-16(15)31-4/h7-11,19,25H,1-6H3.
What are the key properties of dimethyl 4-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 4-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 483.55 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 24823575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).