N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

C25H27N3O5S — CID 46578508

IUPACN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2CC(C(=O)Nc3nc(-c4ccc(C)c(C)c4)cs3)CC2=O)cc(OC)c1OC
InChIInChI=1S/C25H27N3O5S/c1-14-6-7-16(8-15(14)2)19-13-34-25(26-19)27-24(30)17-9-22(29)28(12-17)18-10-20(31-3)23(33-5)21(11-18)32-4/h6-8,10-11,13,17H,9,12H2,1-5H3,(H,26,27,30)
InChIKeyZIJUGMVFHKBYRH-UHFFFAOYSA-N
MW481.57 g/mol
LogP4.44
Rot. Bonds7

About N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 46578508) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID46578508
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2CC(C(=O)Nc3nc(-c4ccc(C)c(C)c4)cs3)CC2=O)cc(OC)c1OC
InChIInChI=1S/C25H27N3O5S/c1-14-6-7-16(8-15(14)2)19-13-34-25(26-19)27-24(30)17-9-22(29)28(12-17)18-10-20(31-3)23(33-5)21(11-18)32-4/h6-8,10-11,13,17H,9,12H2,1-5H3,(H,26,27,30)
InChIKeyZIJUGMVFHKBYRH-UHFFFAOYSA-N
XLogP4.44
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057156
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46578349
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 7438951
1-(3,4-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 6497645
1-(2,4-difluorophenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 46404189
(3S)-1-(4-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2218521
N-(6-methyl-2-pyridinyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46578122
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46569326
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46578340
1-(4-fluoro-3-nitrophenyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 55536307
N-[3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 56726250
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1224000

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (CID 46578508) is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is COc1cc(N2CC(C(=O)Nc3nc(-c4ccc(C)c(C)c4)cs3)CC2=O)cc(OC)c1OC.
What is the InChIKey of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is ZIJUGMVFHKBYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-14-6-7-16(8-15(14)2)19-13-34-25(26-19)27-24(30)17-9-22(29)28(12-17)18-10-20(31-3)23(33-5)21(11-18)32-4/h6-8,10-11,13,17H,9,12H2,1-5H3,(H,26,27,30).
What are the key properties of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 481.57 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 46578508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).