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

C28H31N3O6S — CID 21296796

IUPACdimethyl 4-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2,6-dimethyl-2-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)(c2ccccc2)C(C(=O)OC)C1Nc1nc(-c2cc(OC)ccc2OC)cs1
InChIInChI=1S/C28H31N3O6S/c1-16-22(25(32)36-5)24(23(26(33)37-6)28(2,31-16)17-10-8-7-9-11-17)30-27-29-20(15-38-27)19-14-18(34-3)12-13-21(19)35-4/h7-15,23-24,31H,1-6H3,(H,29,30)
InChIKeyRVCUGHCFRVNRSQ-UHFFFAOYSA-N
MW537.64 g/mol
LogP4.36
Rot. Bonds8

About 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

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 (PubChem CID 21296796) has the molecular formula C28H31N3O6S and a molecular weight of 537.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namedimethyl 4-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2,6-dimethyl-2-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate
PubChem CID21296796
Molecular FormulaC28H31N3O6S
Molecular Weight537.64 g/mol
Exact Mass537.19
IUPAC Namedimethyl 4-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2,6-dimethyl-2-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)(c2ccccc2)C(C(=O)OC)C1Nc1nc(-c2cc(OC)ccc2OC)cs1
InChIInChI=1S/C28H31N3O6S/c1-16-22(25(32)36-5)24(23(26(33)37-6)28(2,31-16)17-10-8-7-9-11-17)30-27-29-20(15-38-27)19-14-18(34-3)12-13-21(19)35-4/h7-15,23-24,31H,1-6H3,(H,29,30)
InChIKeyRVCUGHCFRVNRSQ-UHFFFAOYSA-N
XLogP4.36
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.64
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

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-[(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 2-[[4-(5-bromo-2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate
CID 88646554
dimethyl 2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate
CID 88647386
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-(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-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-dimethyl-2-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate
CID 21296489
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 16551474
2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 3422188
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2531414

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)C1=C(C)NC(C)(c2ccccc2)C(C(=O)OC)C1Nc1nc(-c2cc(OC)ccc2OC)cs1.
What is the InChIKey of 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?
The InChIKey is RVCUGHCFRVNRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O6S/c1-16-22(25(32)36-5)24(23(26(33)37-6)28(2,31-16)17-10-8-7-9-11-17)30-27-29-20(15-38-27)19-14-18(34-3)12-13-21(19)35-4/h7-15,23-24,31H,1-6H3,(H,29,30).
What are the key properties of 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?
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 has a molecular weight of 537.64 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 21296796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).