dimethyl 2,6-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate

C21H24N2O4S — CID 70415565

IUPACdimethyl 2,6-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)C(C(=O)OC)(c2nc(C)cs2)C1c1ccccc1
InChIInChI=1S/C21H24N2O4S/c1-12-11-28-19(22-12)21(20(25)27-5)14(3)23-13(2)16(18(24)26-4)17(21)15-9-7-6-8-10-15/h6-11,14,17,23H,1-5H3
InChIKeyMQMHFPRRHATMDH-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.08
Rot. Bonds4

About dimethyl 2,6-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate

dimethyl 2,6-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate (PubChem CID 70415565) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is dimethyl 2,6-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate
PubChem CID70415565
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Namedimethyl 2,6-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)C(C(=O)OC)(c2nc(C)cs2)C1c1ccccc1
InChIInChI=1S/C21H24N2O4S/c1-12-11-28-19(22-12)21(20(25)27-5)14(3)23-13(2)16(18(24)26-4)17(21)15-9-7-6-8-10-15/h6-11,14,17,23H,1-5H3
InChIKeyMQMHFPRRHATMDH-UHFFFAOYSA-N
XLogP3.08
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze dimethyl 2,6-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate with MolForge

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Related Compounds

dimethyl 3-[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2,6-dimethyl-4-phenyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate
CID 70415144
dimethyl 3-[[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2,6-dimethyl-4-phenyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate
CID 88646600
dimethyl 4-[(4-ethoxycarbonyl-1,3-thiazol-2-yl)amino]-2,6-dimethyl-3-phenyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate
CID 21296486
dimethyl 2,6-dimethyl-4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate
CID 21296692
diethyl 3-[[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2,6-dimethyl-4-phenyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate
CID 88647117
diethyl 3-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2,6-dimethyl-4-phenyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate
CID 88647321
diethyl 3-[[4-(5-bromo-2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2,6-dimethyl-4-phenyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate
CID 88646565
dimethyl 2-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]-2,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate
CID 70415380
(4R)-5-methoxycarbonyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid
CID 15004146
dimethyl 2,6-dimethyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 12942918
methyl 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2728918
trimethyl (2S,5S)-5-methyl-2-phenyl-1,2-dihydropyrrole-3,4,5-tricarboxylate
CID 16726888

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2,6-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate (CID 70415565) is dimethyl 2,6-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,6-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2,6-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate is COC(=O)C1=C(C)NC(C)C(C(=O)OC)(c2nc(C)cs2)C1c1ccccc1.
What is the InChIKey of dimethyl 2,6-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate?
The InChIKey is MQMHFPRRHATMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-12-11-28-19(22-12)21(20(25)27-5)14(3)23-13(2)16(18(24)26-4)17(21)15-9-7-6-8-10-15/h6-11,14,17,23H,1-5H3.
What are the key properties of dimethyl 2,6-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate?
dimethyl 2,6-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate has a molecular weight of 400.50 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 70415565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).