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

C28H29N3O6S — CID 53261538

IUPACbis(prop-2-enyl) 4-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESC=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1c(-c2cc(OC)ccc2OC)nc2sccn12
InChIInChI=1S/C28H29N3O6S/c1-7-12-36-26(32)21-16(3)29-17(4)22(27(33)37-13-8-2)23(21)25-24(30-28-31(25)11-14-38-28)19-15-18(34-5)9-10-20(19)35-6/h7-11,14-15,23,29H,1-2,12-13H2,3-6H3
InChIKeyJGGZZUONEDICDO-UHFFFAOYSA-N
MW535.62 g/mol
LogP4.77
Rot. Bonds10

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

bis(prop-2-enyl) 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 53261538) has the molecular formula C28H29N3O6S and a molecular weight of 535.62 g/mol. Its IUPAC name is bis(prop-2-enyl) 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 Namebis(prop-2-enyl) 4-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID53261538
Molecular FormulaC28H29N3O6S
Molecular Weight535.62 g/mol
Exact Mass535.18
IUPAC Namebis(prop-2-enyl) 4-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESC=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1c(-c2cc(OC)ccc2OC)nc2sccn12
InChIInChI=1S/C28H29N3O6S/c1-7-12-36-26(32)21-16(3)29-17(4)22(27(33)37-13-8-2)23(21)25-24(30-28-31(25)11-14-38-28)19-15-18(34-5)9-10-20(19)35-6/h7-11,14-15,23,29H,1-2,12-13H2,3-6H3
InChIKeyJGGZZUONEDICDO-UHFFFAOYSA-N
XLogP4.77
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.62
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) 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 bis(prop-2-enyl) 4-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CID 53261538) is bis(prop-2-enyl) 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 bis(prop-2-enyl) 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 bis(prop-2-enyl) 4-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1c(-c2cc(OC)ccc2OC)nc2sccn12.
What is the InChIKey of bis(prop-2-enyl) 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 JGGZZUONEDICDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O6S/c1-7-12-36-26(32)21-16(3)29-17(4)22(27(33)37-13-8-2)23(21)25-24(30-28-31(25)11-14-38-28)19-15-18(34-5)9-10-20(19)35-6/h7-11,14-15,23,29H,1-2,12-13H2,3-6H3.
What are the key properties of bis(prop-2-enyl) 4-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
bis(prop-2-enyl) 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 535.62 g/mol, XLogP of 4.77, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) 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 53261538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).