ethyl 2-[[3-(3-fluorophenyl)propyl-[(2R)-2-(4-methoxyphenyl)-2-(2-trimethylsilylethoxymethoxy)acetyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate

C32H43FN2O6SSi — CID 70348276

IUPACethyl 2-[[3-(3-fluorophenyl)propyl-[(2R)-2-(4-methoxyphenyl)-2-(2-trimethylsilylethoxymethoxy)acetyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(CN(CCCc2cccc(F)c2)C(=O)[C@H](OCOCC[Si](C)(C)C)c2ccc(OC)cc2)sc1C
InChIInChI=1S/C32H43FN2O6SSi/c1-7-40-32(37)29-23(2)42-28(34-29)21-35(17-9-11-24-10-8-12-26(33)20-24)31(36)30(25-13-15-27(38-3)16-14-25)41-22-39-18-19-43(4,5)6/h8,10,12-16,20,30H,7,9,11,17-19,21-22H2,1-6H3/t30-/m1/s1
InChIKeyQTQYBDPKMBZEFF-SSEXGKCCSA-N
MW630.86 g/mol
LogP6.81
Rot. Bonds17

About ethyl 2-[[3-(3-fluorophenyl)propyl-[(2R)-2-(4-methoxyphenyl)-2-(2-trimethylsilylethoxymethoxy)acetyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate

ethyl 2-[[3-(3-fluorophenyl)propyl-[(2R)-2-(4-methoxyphenyl)-2-(2-trimethylsilylethoxymethoxy)acetyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 70348276) has the molecular formula C32H43FN2O6SSi and a molecular weight of 630.86 g/mol. Its IUPAC name is ethyl 2-[[3-(3-fluorophenyl)propyl-[(2R)-2-(4-methoxyphenyl)-2-(2-trimethylsilylethoxymethoxy)acetyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[3-(3-fluorophenyl)propyl-[(2R)-2-(4-methoxyphenyl)-2-(2-trimethylsilylethoxymethoxy)acetyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID70348276
Molecular FormulaC32H43FN2O6SSi
Molecular Weight630.86 g/mol
Exact Mass630.26
IUPAC Nameethyl 2-[[3-(3-fluorophenyl)propyl-[(2R)-2-(4-methoxyphenyl)-2-(2-trimethylsilylethoxymethoxy)acetyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(CN(CCCc2cccc(F)c2)C(=O)[C@H](OCOCC[Si](C)(C)C)c2ccc(OC)cc2)sc1C
InChIInChI=1S/C32H43FN2O6SSi/c1-7-40-32(37)29-23(2)42-28(34-29)21-35(17-9-11-24-10-8-12-26(33)20-24)31(36)30(25-13-15-27(38-3)16-14-25)41-22-39-18-19-43(4,5)6/h8,10,12-16,20,30H,7,9,11,17-19,21-22H2,1-6H3/t30-/m1/s1
InChIKeyQTQYBDPKMBZEFF-SSEXGKCCSA-N
XLogP6.81
TPSA87.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.86
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze ethyl 2-[[3-(3-fluorophenyl)propyl-[(2R)-2-(4-methoxyphenyl)-2-(2-trimethylsilylethoxymethoxy)acetyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

ethyl 5-bromo-2-[[[(2R)-2-(4-methoxyphenyl)-2-(2-trimethylsilylethoxymethoxy)acetyl]-(3-phenylpropyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 70348388
ethyl 2-[[(3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 70348151
2-[[3-(3-fluorophenyl)propyl-[(2R)-2-hydroxy-2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-hydroxyethyl(methyl)sulfamoyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 70349244
2-[[[2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxyphenyl)acetyl]-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 70348111
ethyl 2-[[3-(3-fluorophenyl)propylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 70349122
ethyl 2-[[3-(3-chlorophenyl)propyl-[1-(5-methoxy-2-pyridinyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 70348274
ethyl 2-[[[3,5-dimethoxy-4-(methoxymethyl)benzoyl]-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 70348266
ethyl 2-[5-(4-methoxyphenyl)pentyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 161136638
ethyl 2-[[3-(4,5-dimethylfuran-2-yl)propyl-[1-(5-methoxy-2-pyridinyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 70348189
ethyl 2-[[3-(5-chlorofuran-2-yl)propyl-[1-(5-methoxy-2-pyridinyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 70348390
2-[[carboxy(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 70349303
ethyl 2-[2-(4-methoxyphenoxy)propanoyl-(2-phenylethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 55504650

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(3-fluorophenyl)propyl-[(2R)-2-(4-methoxyphenyl)-2-(2-trimethylsilylethoxymethoxy)acetyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[3-(3-fluorophenyl)propyl-[(2R)-2-(4-methoxyphenyl)-2-(2-trimethylsilylethoxymethoxy)acetyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate (CID 70348276) is ethyl 2-[[3-(3-fluorophenyl)propyl-[(2R)-2-(4-methoxyphenyl)-2-(2-trimethylsilylethoxymethoxy)acetyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[3-(3-fluorophenyl)propyl-[(2R)-2-(4-methoxyphenyl)-2-(2-trimethylsilylethoxymethoxy)acetyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[3-(3-fluorophenyl)propyl-[(2R)-2-(4-methoxyphenyl)-2-(2-trimethylsilylethoxymethoxy)acetyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(CN(CCCc2cccc(F)c2)C(=O)[C@H](OCOCC[Si](C)(C)C)c2ccc(OC)cc2)sc1C.
What is the InChIKey of ethyl 2-[[3-(3-fluorophenyl)propyl-[(2R)-2-(4-methoxyphenyl)-2-(2-trimethylsilylethoxymethoxy)acetyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is QTQYBDPKMBZEFF-SSEXGKCCSA-N. The full InChI is InChI=1S/C32H43FN2O6SSi/c1-7-40-32(37)29-23(2)42-28(34-29)21-35(17-9-11-24-10-8-12-26(33)20-24)31(36)30(25-13-15-27(38-3)16-14-25)41-22-39-18-19-43(4,5)6/h8,10,12-16,20,30H,7,9,11,17-19,21-22H2,1-6H3/t30-/m1/s1.
What are the key properties of ethyl 2-[[3-(3-fluorophenyl)propyl-[(2R)-2-(4-methoxyphenyl)-2-(2-trimethylsilylethoxymethoxy)acetyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate?
ethyl 2-[[3-(3-fluorophenyl)propyl-[(2R)-2-(4-methoxyphenyl)-2-(2-trimethylsilylethoxymethoxy)acetyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 630.86 g/mol, XLogP of 6.81, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(3-fluorophenyl)propyl-[(2R)-2-(4-methoxyphenyl)-2-(2-trimethylsilylethoxymethoxy)acetyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 70348276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).