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

C31H38BrN3O6S — CID 21296431

IUPACdiethyl 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
SMILESBr.CCOC(=O)C1=C(C)NC(C)(c2ccccc2)C(C(=O)OCC)C1Nc1nc(-c2ccc(OC)c(OC)c2)c(C)s1
InChIInChI=1S/C31H37N3O6S.BrH/c1-8-39-28(35)24-18(3)34-31(5,21-13-11-10-12-14-21)25(29(36)40-9-2)27(24)33-30-32-26(19(4)41-30)20-15-16-22(37-6)23(17-20)38-7;/h10-17,25,27,34H,8-9H2,1-7H3,(H,32,33);1H
InChIKeyUIENKVNEWWWLEM-UHFFFAOYSA-N
MW660.63 g/mol
LogP6.03
Rot. Bonds10

About 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

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 (PubChem CID 21296431) has the molecular formula C31H38BrN3O6S and a molecular weight of 660.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namediethyl 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
PubChem CID21296431
Molecular FormulaC31H38BrN3O6S
Molecular Weight660.63 g/mol
Exact Mass659.17
IUPAC Namediethyl 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
SMILESBr.CCOC(=O)C1=C(C)NC(C)(c2ccccc2)C(C(=O)OCC)C1Nc1nc(-c2ccc(OC)c(OC)c2)c(C)s1
InChIInChI=1S/C31H37N3O6S.BrH/c1-8-39-28(35)24-18(3)34-31(5,21-13-11-10-12-14-21)25(29(36)40-9-2)27(24)33-30-32-26(19(4)41-30)20-15-16-22(37-6)23(17-20)38-7;/h10-17,25,27,34H,8-9H2,1-7H3,(H,32,33);1H
InChIKeyUIENKVNEWWWLEM-UHFFFAOYSA-N
XLogP6.03
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.63
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 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;hydrobromide
CID 88647027
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
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
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 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
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 1347169
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
diethyl 2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate
CID 70414736
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 48998332
diethyl 2,6-dimethyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate
CID 70415168
N-butyl-4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 52794394
4-(3,4-dimethoxyphenyl)-5-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine
CID 52882687

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Br.CCOC(=O)C1=C(C)NC(C)(c2ccccc2)C(C(=O)OCC)C1Nc1nc(-c2ccc(OC)c(OC)c2)c(C)s1.
What is the InChIKey of 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?
The InChIKey is UIENKVNEWWWLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O6S.BrH/c1-8-39-28(35)24-18(3)34-31(5,21-13-11-10-12-14-21)25(29(36)40-9-2)27(24)33-30-32-26(19(4)41-30)20-15-16-22(37-6)23(17-20)38-7;/h10-17,25,27,34H,8-9H2,1-7H3,(H,32,33);1H.
What are the key properties of 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?
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 has a molecular weight of 660.63 g/mol, XLogP of 6.03, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 21296431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).