dimethyl 2,6-dimethyl-4-[2-[[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

C32H29N3O5S — CID 88646557

IUPACdimethyl 2,6-dimethyl-4-[2-[[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1
InChIInChI=1S/C32H29N3O5S/c1-19-27(30(36)38-3)29(28(20(2)33-19)31(37)39-4)24-12-8-9-13-25(24)34-32-35-26(18-41-32)21-14-16-23(17-15-21)40-22-10-6-5-7-11-22/h5-18,29,33H,1-4H3,(H,34,35)
InChIKeyOFRRCDYBDVHKEN-UHFFFAOYSA-N
MW567.67 g/mol
LogP6.93
Rot. Bonds8

About dimethyl 2,6-dimethyl-4-[2-[[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

dimethyl 2,6-dimethyl-4-[2-[[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 88646557) has the molecular formula C32H29N3O5S and a molecular weight of 567.67 g/mol. Its IUPAC name is dimethyl 2,6-dimethyl-4-[2-[[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-dimethyl-4-[2-[[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID88646557
Molecular FormulaC32H29N3O5S
Molecular Weight567.67 g/mol
Exact Mass567.18
IUPAC Namedimethyl 2,6-dimethyl-4-[2-[[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1
InChIInChI=1S/C32H29N3O5S/c1-19-27(30(36)38-3)29(28(20(2)33-19)31(37)39-4)24-12-8-9-13-25(24)34-32-35-26(18-41-32)21-14-16-23(17-15-21)40-22-10-6-5-7-11-22/h5-18,29,33H,1-4H3,(H,34,35)
InChIKeyOFRRCDYBDVHKEN-UHFFFAOYSA-N
XLogP6.93
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.67
LogP ≤ 56.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze dimethyl 2,6-dimethyl-4-[2-[[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 4-[2-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 88647499
diethyl 2-(hydroxymethyl)-6-methyl-4-[2-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 88647098
dimethyl 4-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 21296731
dimethyl 4-[3-[[4-(4-carbamoylphenyl)-1,3-thiazol-2-yl]amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 88646571
4-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 853927
diethyl 4-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 21296666
dimethyl 2,6-dimethyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 12942918
1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 1044223
4-(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858168
dimethyl 2,6-dimethyl-4-[3-[[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 88647385
dimethyl 4-[3-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 70414249
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87406747

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-dimethyl-4-[2-[[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2,6-dimethyl-4-[2-[[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate (CID 88646557) is dimethyl 2,6-dimethyl-4-[2-[[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,6-dimethyl-4-[2-[[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2,6-dimethyl-4-[2-[[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate is COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1.
What is the InChIKey of dimethyl 2,6-dimethyl-4-[2-[[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is OFRRCDYBDVHKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O5S/c1-19-27(30(36)38-3)29(28(20(2)33-19)31(37)39-4)24-12-8-9-13-25(24)34-32-35-26(18-41-32)21-14-16-23(17-15-21)40-22-10-6-5-7-11-22/h5-18,29,33H,1-4H3,(H,34,35).
What are the key properties of dimethyl 2,6-dimethyl-4-[2-[[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 2,6-dimethyl-4-[2-[[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 567.67 g/mol, XLogP of 6.93, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-dimethyl-4-[2-[[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 88646557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).