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

C26H29N3O6S — CID 24823240

IUPACdimethyl 4-[6-(2,5-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCc1cn2c(C3C(C(=O)OC)=C(C)NC(C)=C3C(=O)OC)c(-c3cc(OC)ccc3OC)nc2s1
InChIInChI=1S/C26H29N3O6S/c1-8-16-12-29-23(21-19(24(30)34-6)13(2)27-14(3)20(21)25(31)35-7)22(28-26(29)36-16)17-11-15(32-4)9-10-18(17)33-5/h9-12,21,27H,8H2,1-7H3
InChIKeyFZBCKVOWBSRUGY-UHFFFAOYSA-N
MW511.60 g/mol
LogP4.22
Rot. Bonds7

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

dimethyl 4-[6-(2,5-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 24823240) has the molecular formula C26H29N3O6S and a molecular weight of 511.60 g/mol. Its IUPAC name is dimethyl 4-[6-(2,5-dimethoxyphenyl)-2-ethylimidazo[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)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID24823240
Molecular FormulaC26H29N3O6S
Molecular Weight511.60 g/mol
Exact Mass511.18
IUPAC Namedimethyl 4-[6-(2,5-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCc1cn2c(C3C(C(=O)OC)=C(C)NC(C)=C3C(=O)OC)c(-c3cc(OC)ccc3OC)nc2s1
InChIInChI=1S/C26H29N3O6S/c1-8-16-12-29-23(21-19(24(30)34-6)13(2)27-14(3)20(21)25(31)35-7)22(28-26(29)36-16)17-11-15(32-4)9-10-18(17)33-5/h9-12,21,27H,8H2,1-7H3
InChIKeyFZBCKVOWBSRUGY-UHFFFAOYSA-N
XLogP4.22
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.60
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze dimethyl 4-[6-(2,5-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[6-(2,5-dimethoxyphenyl)-2-ethylimidazo[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)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CID 24823240) is dimethyl 4-[6-(2,5-dimethoxyphenyl)-2-ethylimidazo[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)-2-ethylimidazo[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)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is CCc1cn2c(C3C(C(=O)OC)=C(C)NC(C)=C3C(=O)OC)c(-c3cc(OC)ccc3OC)nc2s1.
What is the InChIKey of dimethyl 4-[6-(2,5-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is FZBCKVOWBSRUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O6S/c1-8-16-12-29-23(21-19(24(30)34-6)13(2)27-14(3)20(21)25(31)35-7)22(28-26(29)36-16)17-11-15(32-4)9-10-18(17)33-5/h9-12,21,27H,8H2,1-7H3.
What are the key properties of dimethyl 4-[6-(2,5-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 4-[6-(2,5-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 511.60 g/mol, XLogP of 4.22, 7 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)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 24823240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).