5-[3-[5-[(2R,5R)-5-[3,4-dimethoxy-5-[3-(4-methyl-1,3-thiazol-5-yl)propoxy]phenyl]oxolan-2-yl]-2,3-dimethoxyphenoxy]propyl]-4-methyl-1,3-thiazole

C34H42N2O7S2 — CID 10580162

IUPAC5-[3-[5-[(2R,5R)-5-[3,4-dimethoxy-5-[3-(4-methyl-1,3-thiazol-5-yl)propoxy]phenyl]oxolan-2-yl]-2,3-dimethoxyphenoxy]propyl]-4-methyl-1,3-thiazole
SMILESCOc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OCCCc4scnc4C)c3)O2)cc(OCCCc2scnc2C)c1OC
InChIInChI=1S/C34H42N2O7S2/c1-21-31(44-19-35-21)9-7-13-41-29-17-23(15-27(37-3)33(29)39-5)25-11-12-26(43-25)24-16-28(38-4)34(40-6)30(18-24)42-14-8-10-32-22(2)36-20-45-32/h15-20,25-26H,7-14H2,1-6H3/t25-,26-/m1/s1
InChIKeyWEMUPKNAICCIHC-CLJLJLNGSA-N
MW654.85 g/mol
LogP7.87
Rot. Bonds16

About 5-[3-[5-[(2R,5R)-5-[3,4-dimethoxy-5-[3-(4-methyl-1,3-thiazol-5-yl)propoxy]phenyl]oxolan-2-yl]-2,3-dimethoxyphenoxy]propyl]-4-methyl-1,3-thiazole

5-[3-[5-[(2R,5R)-5-[3,4-dimethoxy-5-[3-(4-methyl-1,3-thiazol-5-yl)propoxy]phenyl]oxolan-2-yl]-2,3-dimethoxyphenoxy]propyl]-4-methyl-1,3-thiazole (PubChem CID 10580162) has the molecular formula C34H42N2O7S2 and a molecular weight of 654.85 g/mol. Its IUPAC name is 5-[3-[5-[(2R,5R)-5-[3,4-dimethoxy-5-[3-(4-methyl-1,3-thiazol-5-yl)propoxy]phenyl]oxolan-2-yl]-2,3-dimethoxyphenoxy]propyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[3-[5-[(2R,5R)-5-[3,4-dimethoxy-5-[3-(4-methyl-1,3-thiazol-5-yl)propoxy]phenyl]oxolan-2-yl]-2,3-dimethoxyphenoxy]propyl]-4-methyl-1,3-thiazole
PubChem CID10580162
Molecular FormulaC34H42N2O7S2
Molecular Weight654.85 g/mol
Exact Mass654.24
IUPAC Name5-[3-[5-[(2R,5R)-5-[3,4-dimethoxy-5-[3-(4-methyl-1,3-thiazol-5-yl)propoxy]phenyl]oxolan-2-yl]-2,3-dimethoxyphenoxy]propyl]-4-methyl-1,3-thiazole
SMILESCOc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OCCCc4scnc4C)c3)O2)cc(OCCCc2scnc2C)c1OC
InChIInChI=1S/C34H42N2O7S2/c1-21-31(44-19-35-21)9-7-13-41-29-17-23(15-27(37-3)33(29)39-5)25-11-12-26(43-25)24-16-28(38-4)34(40-6)30(18-24)42-14-8-10-32-22(2)36-20-45-32/h15-20,25-26H,7-14H2,1-6H3/t25-,26-/m1/s1
InChIKeyWEMUPKNAICCIHC-CLJLJLNGSA-N
XLogP7.87
TPSA90.39 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500654.85
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[3-[5-[(2R,5R)-5-[3,4-dimethoxy-5-[3-(4-methyl-1,3-thiazol-5-yl)propoxy]phenyl]oxolan-2-yl]-2,3-dimethoxyphenoxy]propyl]-4-methyl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[5-[(2R,5R)-5-[3,4-dimethoxy-5-[3-(4-methyl-1,3-thiazol-5-yl)propoxy]phenyl]oxolan-2-yl]-2,3-dimethoxyphenoxy]propyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[3-[5-[(2R,5R)-5-[3,4-dimethoxy-5-[3-(4-methyl-1,3-thiazol-5-yl)propoxy]phenyl]oxolan-2-yl]-2,3-dimethoxyphenoxy]propyl]-4-methyl-1,3-thiazole (CID 10580162) is 5-[3-[5-[(2R,5R)-5-[3,4-dimethoxy-5-[3-(4-methyl-1,3-thiazol-5-yl)propoxy]phenyl]oxolan-2-yl]-2,3-dimethoxyphenoxy]propyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[3-[5-[(2R,5R)-5-[3,4-dimethoxy-5-[3-(4-methyl-1,3-thiazol-5-yl)propoxy]phenyl]oxolan-2-yl]-2,3-dimethoxyphenoxy]propyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[3-[5-[(2R,5R)-5-[3,4-dimethoxy-5-[3-(4-methyl-1,3-thiazol-5-yl)propoxy]phenyl]oxolan-2-yl]-2,3-dimethoxyphenoxy]propyl]-4-methyl-1,3-thiazole is COc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OCCCc4scnc4C)c3)O2)cc(OCCCc2scnc2C)c1OC.
What is the InChIKey of 5-[3-[5-[(2R,5R)-5-[3,4-dimethoxy-5-[3-(4-methyl-1,3-thiazol-5-yl)propoxy]phenyl]oxolan-2-yl]-2,3-dimethoxyphenoxy]propyl]-4-methyl-1,3-thiazole?
The InChIKey is WEMUPKNAICCIHC-CLJLJLNGSA-N. The full InChI is InChI=1S/C34H42N2O7S2/c1-21-31(44-19-35-21)9-7-13-41-29-17-23(15-27(37-3)33(29)39-5)25-11-12-26(43-25)24-16-28(38-4)34(40-6)30(18-24)42-14-8-10-32-22(2)36-20-45-32/h15-20,25-26H,7-14H2,1-6H3/t25-,26-/m1/s1.
What are the key properties of 5-[3-[5-[(2R,5R)-5-[3,4-dimethoxy-5-[3-(4-methyl-1,3-thiazol-5-yl)propoxy]phenyl]oxolan-2-yl]-2,3-dimethoxyphenoxy]propyl]-4-methyl-1,3-thiazole?
5-[3-[5-[(2R,5R)-5-[3,4-dimethoxy-5-[3-(4-methyl-1,3-thiazol-5-yl)propoxy]phenyl]oxolan-2-yl]-2,3-dimethoxyphenoxy]propyl]-4-methyl-1,3-thiazole has a molecular weight of 654.85 g/mol, XLogP of 7.87, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[5-[(2R,5R)-5-[3,4-dimethoxy-5-[3-(4-methyl-1,3-thiazol-5-yl)propoxy]phenyl]oxolan-2-yl]-2,3-dimethoxyphenoxy]propyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 10580162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).