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

C22H23N3O4S — CID 11796640

IUPACdimethyl 2,6-dimethyl-4-(6-phenyl-2,3-dihydroimidazo[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(-c2ccccc2)nc2n1CCS2
InChIInChI=1S/C22H23N3O4S/c1-12-15(20(26)28-3)17(16(13(2)23-12)21(27)29-4)19-18(14-8-6-5-7-9-14)24-22-25(19)10-11-30-22/h5-9,17,23H,10-11H2,1-4H3
InChIKeyHWVQLFRPVKMJMA-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.24
Rot. Bonds4

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

dimethyl 2,6-dimethyl-4-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 11796640) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is dimethyl 2,6-dimethyl-4-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-dimethyl-4-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID11796640
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Namedimethyl 2,6-dimethyl-4-(6-phenyl-2,3-dihydroimidazo[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(-c2ccccc2)nc2n1CCS2
InChIInChI=1S/C22H23N3O4S/c1-12-15(20(26)28-3)17(16(13(2)23-12)21(27)29-4)19-18(14-8-6-5-7-9-14)24-22-25(19)10-11-30-22/h5-9,17,23H,10-11H2,1-4H3
InChIKeyHWVQLFRPVKMJMA-UHFFFAOYSA-N
XLogP3.24
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze dimethyl 2,6-dimethyl-4-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)-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

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-dimethyl-4-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2,6-dimethyl-4-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate (CID 11796640) is dimethyl 2,6-dimethyl-4-(6-phenyl-2,3-dihydroimidazo[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-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2,6-dimethyl-4-(6-phenyl-2,3-dihydroimidazo[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(-c2ccccc2)nc2n1CCS2.
What is the InChIKey of dimethyl 2,6-dimethyl-4-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is HWVQLFRPVKMJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-12-15(20(26)28-3)17(16(13(2)23-12)21(27)29-4)19-18(14-8-6-5-7-9-14)24-22-25(19)10-11-30-22/h5-9,17,23H,10-11H2,1-4H3.
What are the key properties of dimethyl 2,6-dimethyl-4-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 2,6-dimethyl-4-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 425.51 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-dimethyl-4-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 11796640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).