N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

C23H20N4O3S — CID 41188721

IUPACN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(N2CCCC2=O)cc1)Nc1nc(-c2c[nH]c3ccccc23)cs1
InChIInChI=1S/C23H20N4O3S/c28-21(13-30-16-9-7-15(8-10-16)27-11-3-6-22(27)29)26-23-25-20(14-31-23)18-12-24-19-5-2-1-4-17(18)19/h1-2,4-5,7-10,12,14,24H,3,6,11,13H2,(H,25,26,28)
InChIKeyNWQLILPHBWFMPQ-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.44
Rot. Bonds6

About N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (PubChem CID 41188721) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
PubChem CID41188721
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC NameN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(N2CCCC2=O)cc1)Nc1nc(-c2c[nH]c3ccccc23)cs1
InChIInChI=1S/C23H20N4O3S/c28-21(13-30-16-9-7-15(8-10-16)27-11-3-6-22(27)29)26-23-25-20(14-31-23)18-12-24-19-5-2-1-4-17(18)19/h1-2,4-5,7-10,12,14,24H,3,6,11,13H2,(H,25,26,28)
InChIKeyNWQLILPHBWFMPQ-UHFFFAOYSA-N
XLogP4.44
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 46628962
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 41164403
2-(4-cyanophenoxy)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 8839559
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(3-pyridin-2-yloxyphenoxy)acetamide
CID 31950079
2-(4-fluorophenyl)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 51535850
1-[2-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598588
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 8839544
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 8839526
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 2566619
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 55442687
N-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 43036524
N-(4-acetyl-1,3-thiazol-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26469493

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The IUPAC name of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (CID 41188721) is N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is O=C(COc1ccc(N2CCCC2=O)cc1)Nc1nc(-c2c[nH]c3ccccc23)cs1.
What is the InChIKey of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The InChIKey is NWQLILPHBWFMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c28-21(13-30-16-9-7-15(8-10-16)27-11-3-6-22(27)29)26-23-25-20(14-31-23)18-12-24-19-5-2-1-4-17(18)19/h1-2,4-5,7-10,12,14,24H,3,6,11,13H2,(H,25,26,28).
What are the key properties of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide has a molecular weight of 432.51 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is sourced from PubChem (CID 41188721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).