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

C27H29N3O4S — CID 21296609

IUPACdimethyl 2,6-dimethyl-4-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)(c2ccccc2)C(C(=O)OC)C1Nc1nc(-c2ccccc2)c(C)s1
InChIInChI=1S/C27H29N3O4S/c1-16-20(24(31)33-4)23(29-26-28-22(17(2)35-26)18-12-8-6-9-13-18)21(25(32)34-5)27(3,30-16)19-14-10-7-11-15-19/h6-15,21,23,30H,1-5H3,(H,28,29)
InChIKeyKTZOSRXHYJDDPX-UHFFFAOYSA-N
MW491.61 g/mol
LogP4.65
Rot. Bonds6

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

dimethyl 2,6-dimethyl-4-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate (PubChem CID 21296609) has the molecular formula C27H29N3O4S and a molecular weight of 491.61 g/mol. Its IUPAC name is dimethyl 2,6-dimethyl-4-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-dimethyl-4-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate
PubChem CID21296609
Molecular FormulaC27H29N3O4S
Molecular Weight491.61 g/mol
Exact Mass491.19
IUPAC Namedimethyl 2,6-dimethyl-4-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)(c2ccccc2)C(C(=O)OC)C1Nc1nc(-c2ccccc2)c(C)s1
InChIInChI=1S/C27H29N3O4S/c1-16-20(24(31)33-4)23(29-26-28-22(17(2)35-26)18-12-8-6-9-13-18)21(25(32)34-5)27(3,30-16)19-14-10-7-11-15-19/h6-15,21,23,30H,1-5H3,(H,28,29)
InChIKeyKTZOSRXHYJDDPX-UHFFFAOYSA-N
XLogP4.65
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

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
dimethyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,6-dimethyl-2-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate
CID 21296464
dimethyl 4-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2,6-dimethyl-2-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate
CID 21296796
dimethyl 4-[[4-(4-methoxy-3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2,6-dimethyl-2-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate
CID 21296743
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 4-[(4-ethoxycarbonyl-1,3-thiazol-2-yl)amino]-2,6-dimethyl-2-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate
CID 21296856
dimethyl 2,6-dimethyl-2-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-4-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate
CID 70414937
methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 1220478
dimethyl 4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-dimethyl-2-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate
CID 21296489
bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;dimethyl 2,6-dimethyl-2-phenyl-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-pyridine-3,5-dicarboxylate
CID 21296594
chlorobenzene;dimethyl 2,6-dimethyl-2-phenyl-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-pyridine-3,5-dicarboxylate
CID 21296498
dimethyl 2,6-dimethyl-2-phenyl-4-(1,3-thiazol-2-yl)-3,4-dihydro-1H-pyridine-3,5-dicarboxylate;2-fluorobicyclo[3.1.0]hexa-1,3,5-triene
CID 21296518

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-dimethyl-4-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2,6-dimethyl-4-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate (CID 21296609) is dimethyl 2,6-dimethyl-4-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,6-dimethyl-4-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2,6-dimethyl-4-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate is COC(=O)C1=C(C)NC(C)(c2ccccc2)C(C(=O)OC)C1Nc1nc(-c2ccccc2)c(C)s1.
What is the InChIKey of dimethyl 2,6-dimethyl-4-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate?
The InChIKey is KTZOSRXHYJDDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4S/c1-16-20(24(31)33-4)23(29-26-28-22(17(2)35-26)18-12-8-6-9-13-18)21(25(32)34-5)27(3,30-16)19-14-10-7-11-15-19/h6-15,21,23,30H,1-5H3,(H,28,29).
What are the key properties of dimethyl 2,6-dimethyl-4-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate?
dimethyl 2,6-dimethyl-4-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate has a molecular weight of 491.61 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-dimethyl-4-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 21296609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).