2-(4-oxo-1,3-thiazolidin-3-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide

C17H21N3O2S — CID 51093568

IUPAC2-(4-oxo-1,3-thiazolidin-3-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)CN2CSCC2=O)c2[nH]c(C)c(C)c2c1
InChIInChI=1S/C17H21N3O2S/c1-10-4-13(17-14(5-10)11(2)12(3)19-17)6-18-15(21)7-20-9-23-8-16(20)22/h4-5,19H,6-9H2,1-3H3,(H,18,21)
InChIKeyJQSCYFPXEWQQKN-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.24
Rot. Bonds4

About 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide

2-(4-oxo-1,3-thiazolidin-3-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide (PubChem CID 51093568) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-1,3-thiazolidin-3-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide
PubChem CID51093568
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-(4-oxo-1,3-thiazolidin-3-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)CN2CSCC2=O)c2[nH]c(C)c(C)c2c1
InChIInChI=1S/C17H21N3O2S/c1-10-4-13(17-14(5-10)11(2)12(3)19-17)6-18-15(21)7-20-9-23-8-16(20)22/h4-5,19H,6-9H2,1-3H3,(H,18,21)
InChIKeyJQSCYFPXEWQQKN-UHFFFAOYSA-N
XLogP2.24
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(5-methylpyrazol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide
CID 56877833
(2R)-1-methylsulfonyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]pyrrolidine-2-carboxamide
CID 95502882
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]propanamide
CID 98474413
1-[(2S)-butan-2-yl]-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]urea
CID 95557957
2-(3,4-dimethoxyphenyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide
CID 56878946
N-[(2-chlorophenyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9209720
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 55866206
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483391
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide
CID 9321929
N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,4-dioxane-2-carboxamide
CID 71936903
(2R)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]-1,4-dioxane-2-carboxamide
CID 95161921
1-pyridin-2-yl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]urea
CID 47085396

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide?
The IUPAC name of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide (CID 51093568) is 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide?
The canonical SMILES for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide is Cc1cc(CNC(=O)CN2CSCC2=O)c2[nH]c(C)c(C)c2c1.
What is the InChIKey of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide?
The InChIKey is JQSCYFPXEWQQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-10-4-13(17-14(5-10)11(2)12(3)19-17)6-18-15(21)7-20-9-23-8-16(20)22/h4-5,19H,6-9H2,1-3H3,(H,18,21).
What are the key properties of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide?
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide has a molecular weight of 331.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide is sourced from PubChem (CID 51093568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).