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

C29H33N3O6S — CID 88646600

IUPACdimethyl 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
SMILESCOC(=O)C1=C(C)NC(C)C(Nc2nc(-c3ccc(OC)c(OC)c3)c(C)s2)(C(=O)OC)C1c1ccccc1
InChIInChI=1S/C29H33N3O6S/c1-16-23(26(33)37-6)24(19-11-9-8-10-12-19)29(18(3)30-16,27(34)38-7)32-28-31-25(17(2)39-28)20-13-14-21(35-4)22(15-20)36-5/h8-15,18,24,30H,1-7H3,(H,31,32)
InChIKeyVFAAITFSRWSJAH-UHFFFAOYSA-N
MW551.67 g/mol
LogP4.68
Rot. Bonds8

About 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

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 (PubChem CID 88646600) has the molecular formula C29H33N3O6S and a molecular weight of 551.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namedimethyl 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
PubChem CID88646600
Molecular FormulaC29H33N3O6S
Molecular Weight551.67 g/mol
Exact Mass551.21
IUPAC Namedimethyl 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
SMILESCOC(=O)C1=C(C)NC(C)C(Nc2nc(-c3ccc(OC)c(OC)c3)c(C)s2)(C(=O)OC)C1c1ccccc1
InChIInChI=1S/C29H33N3O6S/c1-16-23(26(33)37-6)24(19-11-9-8-10-12-19)29(18(3)30-16,27(34)38-7)32-28-31-25(17(2)39-28)20-13-14-21(35-4)22(15-20)36-5/h8-15,18,24,30H,1-7H3,(H,31,32)
InChIKeyVFAAITFSRWSJAH-UHFFFAOYSA-N
XLogP4.68
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.67
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

diethyl 2-[[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate
CID 88647028
diethyl 2-[[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate;hydrobromide
CID 88647027
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 2,6-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate
CID 70415565
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 1347169
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
diethyl 4-[[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2,6-dimethyl-2-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate;hydrobromide
CID 21296431
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
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 48998332
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,3-difluorobenzamide
CID 75466790
dimethyl 4-[3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 21296596
(2R)-N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 167811487

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)C1=C(C)NC(C)C(Nc2nc(-c3ccc(OC)c(OC)c3)c(C)s2)(C(=O)OC)C1c1ccccc1.
What is the InChIKey of 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?
The InChIKey is VFAAITFSRWSJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O6S/c1-16-23(26(33)37-6)24(19-11-9-8-10-12-19)29(18(3)30-16,27(34)38-7)32-28-31-25(17(2)39-28)20-13-14-21(35-4)22(15-20)36-5/h8-15,18,24,30H,1-7H3,(H,31,32).
What are the key properties of 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?
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 has a molecular weight of 551.67 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 88646600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).