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

C26H27N3O5S — CID 43057156

IUPACN-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2CC(C(=O)Nc3nc(-c4ccc5c(c4)CCC5)cs3)CC2=O)cc(OC)c1OC
InChIInChI=1S/C26H27N3O5S/c1-32-21-11-19(12-22(33-2)24(21)34-3)29-13-18(10-23(29)30)25(31)28-26-27-20(14-35-26)17-8-7-15-5-4-6-16(15)9-17/h7-9,11-12,14,18H,4-6,10,13H2,1-3H3,(H,27,28,31)
InChIKeyZTNOVHSQYXOOGL-UHFFFAOYSA-N
MW493.59 g/mol
LogP4.32
Rot. Bonds7

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

N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 43057156) has the molecular formula C26H27N3O5S and a molecular weight of 493.59 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID43057156
Molecular FormulaC26H27N3O5S
Molecular Weight493.59 g/mol
Exact Mass493.17
IUPAC NameN-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2CC(C(=O)Nc3nc(-c4ccc5c(c4)CCC5)cs3)CC2=O)cc(OC)c1OC
InChIInChI=1S/C26H27N3O5S/c1-32-21-11-19(12-22(33-2)24(21)34-3)29-13-18(10-23(29)30)25(31)28-26-27-20(14-35-26)17-8-7-15-5-4-6-16(15)9-17/h7-9,11-12,14,18H,4-6,10,13H2,1-3H3,(H,27,28,31)
InChIKeyZTNOVHSQYXOOGL-UHFFFAOYSA-N
XLogP4.32
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46578508
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46569326
1-(2-methoxyethyl)-5-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 112816775
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46578349
1-(2,4-difluorophenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 46404189
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4677452
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46578340
(3S)-1-(4-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2218521
1-(4-methoxyphenyl)-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 6484633
N-(6-methyl-2-pyridinyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46578122
methyl 4-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 42947384
N-ethyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057493

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 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) is N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is COc1cc(N2CC(C(=O)Nc3nc(-c4ccc5c(c4)CCC5)cs3)CC2=O)cc(OC)c1OC.
What is the InChIKey of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is ZTNOVHSQYXOOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5S/c1-32-21-11-19(12-22(33-2)24(21)34-3)29-13-18(10-23(29)30)25(31)28-26-27-20(14-35-26)17-8-7-15-5-4-6-16(15)9-17/h7-9,11-12,14,18H,4-6,10,13H2,1-3H3,(H,27,28,31).
What are the key properties of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 493.59 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 43057156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).