ethyl 2-[[3-(4,5-dimethylfuran-2-yl)propyl-[1-(5-methoxy-2-pyridinyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate

C27H33N3O5S — CID 70348189

IUPACethyl 2-[[3-(4,5-dimethylfuran-2-yl)propyl-[1-(5-methoxy-2-pyridinyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(CN(CCCc2cc(C)c(C)o2)C(=O)C2(c3ccc(OC)cn3)CC2)sc1C
InChIInChI=1S/C27H33N3O5S/c1-6-34-25(31)24-19(4)36-23(29-24)16-30(13-7-8-20-14-17(2)18(3)35-20)26(32)27(11-12-27)22-10-9-21(33-5)15-28-22/h9-10,14-15H,6-8,11-13,16H2,1-5H3
InChIKeyPDZIXTNZTVWEGF-UHFFFAOYSA-N
MW511.64 g/mol
LogP4.93
Rot. Bonds11

About ethyl 2-[[3-(4,5-dimethylfuran-2-yl)propyl-[1-(5-methoxy-2-pyridinyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate

ethyl 2-[[3-(4,5-dimethylfuran-2-yl)propyl-[1-(5-methoxy-2-pyridinyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 70348189) has the molecular formula C27H33N3O5S and a molecular weight of 511.64 g/mol. Its IUPAC name is ethyl 2-[[3-(4,5-dimethylfuran-2-yl)propyl-[1-(5-methoxy-2-pyridinyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[3-(4,5-dimethylfuran-2-yl)propyl-[1-(5-methoxy-2-pyridinyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID70348189
Molecular FormulaC27H33N3O5S
Molecular Weight511.64 g/mol
Exact Mass511.21
IUPAC Nameethyl 2-[[3-(4,5-dimethylfuran-2-yl)propyl-[1-(5-methoxy-2-pyridinyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(CN(CCCc2cc(C)c(C)o2)C(=O)C2(c3ccc(OC)cn3)CC2)sc1C
InChIInChI=1S/C27H33N3O5S/c1-6-34-25(31)24-19(4)36-23(29-24)16-30(13-7-8-20-14-17(2)18(3)35-20)26(32)27(11-12-27)22-10-9-21(33-5)15-28-22/h9-10,14-15H,6-8,11-13,16H2,1-5H3
InChIKeyPDZIXTNZTVWEGF-UHFFFAOYSA-N
XLogP4.93
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.64
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
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-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 70348151
ethyl 2-[5-(4-methoxyphenyl)pentyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 161136638
ethyl 2-[[[1-[1-(5-methoxy-2-pyridinyl)cyclopropyl]-1-oxo-4-[3-(2-trimethylsilylethynyl)phenyl]butan-2-yl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 142768829
ethyl 2-[[[3,5-dimethoxy-4-(methoxymethyl)benzoyl]-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 70348266
2-[[3-(5-chlorothiophen-2-yl)propyl-[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]methyl]-N-(dimethylsulfamoyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 56943620
ethyl 8-(5-methoxy-2-pyridinyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 162342784
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
N-(dimethylsulfamoyl)-2-[[[1-(6-methoxy-3-pyridinyl)cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 70349258
ethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate
CID 116526179
ethyl 2-[(dimethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate;oxalic acid
CID 166597361

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(4,5-dimethylfuran-2-yl)propyl-[1-(5-methoxy-2-pyridinyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of 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) is ethyl 2-[[3-(4,5-dimethylfuran-2-yl)propyl-[1-(5-methoxy-2-pyridinyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[3-(4,5-dimethylfuran-2-yl)propyl-[1-(5-methoxy-2-pyridinyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[3-(4,5-dimethylfuran-2-yl)propyl-[1-(5-methoxy-2-pyridinyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(CN(CCCc2cc(C)c(C)o2)C(=O)C2(c3ccc(OC)cn3)CC2)sc1C.
What is the InChIKey of ethyl 2-[[3-(4,5-dimethylfuran-2-yl)propyl-[1-(5-methoxy-2-pyridinyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is PDZIXTNZTVWEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O5S/c1-6-34-25(31)24-19(4)36-23(29-24)16-30(13-7-8-20-14-17(2)18(3)35-20)26(32)27(11-12-27)22-10-9-21(33-5)15-28-22/h9-10,14-15H,6-8,11-13,16H2,1-5H3.
What are the key properties of ethyl 2-[[3-(4,5-dimethylfuran-2-yl)propyl-[1-(5-methoxy-2-pyridinyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate?
ethyl 2-[[3-(4,5-dimethylfuran-2-yl)propyl-[1-(5-methoxy-2-pyridinyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 511.64 g/mol, XLogP of 4.93, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(4,5-dimethylfuran-2-yl)propyl-[1-(5-methoxy-2-pyridinyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 70348189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).