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

C24H24ClN3O6S — CID 24823727

IUPACdimethyl 4-[2-chloro-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)nc2sc(Cl)cn12
InChIInChI=1S/C24H24ClN3O6S/c1-11-17(22(29)33-5)19(18(12(2)26-11)23(30)34-6)21-20(27-24-28(21)10-16(25)35-24)14-9-13(31-3)7-8-15(14)32-4/h7-10,19,26H,1-6H3
InChIKeyJFVDJRZSLXVRDT-UHFFFAOYSA-N
MW517.99 g/mol
LogP4.31
Rot. Bonds6

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

dimethyl 4-[2-chloro-6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 24823727) has the molecular formula C24H24ClN3O6S and a molecular weight of 517.99 g/mol. Its IUPAC name is dimethyl 4-[2-chloro-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-[2-chloro-6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID24823727
Molecular FormulaC24H24ClN3O6S
Molecular Weight517.99 g/mol
Exact Mass517.11
IUPAC Namedimethyl 4-[2-chloro-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)nc2sc(Cl)cn12
InChIInChI=1S/C24H24ClN3O6S/c1-11-17(22(29)33-5)19(18(12(2)26-11)23(30)34-6)21-20(27-24-28(21)10-16(25)35-24)14-9-13(31-3)7-8-15(14)32-4/h7-10,19,26H,1-6H3
InChIKeyJFVDJRZSLXVRDT-UHFFFAOYSA-N
XLogP4.31
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.99
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dimethyl 2,6-dimethyl-4-[6-[2-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 24822926
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
Dimethyl 4-[6-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 24822928
Dimethyl 4-[6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 24823077
Dimethyl 4-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 24823080
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
Dimethyl 2,6-dimethyl-4-[6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 24823573
Dimethyl 4-[6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 24823574
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
Dimethyl 4-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 24823576
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
Dimethyl 4-[6-(3,6-dimethoxy-2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 24823724

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[2-chloro-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-[2-chloro-6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CID 24823727) is dimethyl 4-[2-chloro-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-[2-chloro-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-[2-chloro-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)nc2sc(Cl)cn12.
What is the InChIKey of dimethyl 4-[2-chloro-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 JFVDJRZSLXVRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O6S/c1-11-17(22(29)33-5)19(18(12(2)26-11)23(30)34-6)21-20(27-24-28(21)10-16(25)35-24)14-9-13(31-3)7-8-15(14)32-4/h7-10,19,26H,1-6H3.
What are the key properties of dimethyl 4-[2-chloro-6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 4-[2-chloro-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 517.99 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-[2-chloro-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 24823727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).