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

C23H23N3O4S — CID 24824034

IUPACdimethyl 2,6-dimethyl-4-(3-methyl-6-phenylimidazo[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)nc2scc(C)n12
InChIInChI=1S/C23H23N3O4S/c1-12-11-31-23-25-19(15-9-7-6-8-10-15)20(26(12)23)18-16(21(27)29-4)13(2)24-14(3)17(18)22(28)30-5/h6-11,18,24H,1-5H3
InChIKeyFLDAKPUJAWSIBT-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.95
Rot. Bonds4

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

dimethyl 2,6-dimethyl-4-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 24824034) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is dimethyl 2,6-dimethyl-4-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-dimethyl-4-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID24824034
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Namedimethyl 2,6-dimethyl-4-(3-methyl-6-phenylimidazo[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)nc2scc(C)n12
InChIInChI=1S/C23H23N3O4S/c1-12-11-31-23-25-19(15-9-7-6-8-10-15)20(26(12)23)18-16(21(27)29-4)13(2)24-14(3)17(18)22(28)30-5/h6-11,18,24H,1-5H3
InChIKeyFLDAKPUJAWSIBT-UHFFFAOYSA-N
XLogP3.95
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-dimethyl-4-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2,6-dimethyl-4-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate (CID 24824034) is dimethyl 2,6-dimethyl-4-(3-methyl-6-phenylimidazo[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-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2,6-dimethyl-4-(3-methyl-6-phenylimidazo[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)nc2scc(C)n12.
What is the InChIKey of dimethyl 2,6-dimethyl-4-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is FLDAKPUJAWSIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-12-11-31-23-25-19(15-9-7-6-8-10-15)20(26(12)23)18-16(21(27)29-4)13(2)24-14(3)17(18)22(28)30-5/h6-11,18,24H,1-5H3.
What are the key properties of dimethyl 2,6-dimethyl-4-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 2,6-dimethyl-4-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 437.52 g/mol, XLogP of 3.95, 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-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 24824034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).