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

C24H25N3O4S — CID 24824035

IUPACdimethyl 4-(2,3-dimethyl-6-phenylimidazo[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(-c2ccccc2)nc2sc(C)c(C)n12
InChIInChI=1S/C24H25N3O4S/c1-12-17(22(28)30-5)19(18(13(2)25-12)23(29)31-6)21-20(16-10-8-7-9-11-16)26-24-27(21)14(3)15(4)32-24/h7-11,19,25H,1-6H3
InChIKeyMGWNAKBSMIQEEJ-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.26
Rot. Bonds4

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

dimethyl 4-(2,3-dimethyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 24824035) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is dimethyl 4-(2,3-dimethyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(2,3-dimethyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID24824035
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Namedimethyl 4-(2,3-dimethyl-6-phenylimidazo[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(-c2ccccc2)nc2sc(C)c(C)n12
InChIInChI=1S/C24H25N3O4S/c1-12-17(22(28)30-5)19(18(13(2)25-12)23(29)31-6)21-20(16-10-8-7-9-11-16)26-24-27(21)14(3)15(4)32-24/h7-11,19,25H,1-6H3
InChIKeyMGWNAKBSMIQEEJ-UHFFFAOYSA-N
XLogP4.26
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(2,3-dimethyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-(2,3-dimethyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CID 24824035) is dimethyl 4-(2,3-dimethyl-6-phenylimidazo[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-(2,3-dimethyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-(2,3-dimethyl-6-phenylimidazo[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(-c2ccccc2)nc2sc(C)c(C)n12.
What is the InChIKey of dimethyl 4-(2,3-dimethyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is MGWNAKBSMIQEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-12-17(22(28)30-5)19(18(13(2)25-12)23(29)31-6)21-20(16-10-8-7-9-11-16)26-24-27(21)14(3)15(4)32-24/h7-11,19,25H,1-6H3.
What are the key properties of dimethyl 4-(2,3-dimethyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 4-(2,3-dimethyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 451.55 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(2,3-dimethyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 24824035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).