2-indol-1-yl-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone

C19H17N3O3S — CID 122329750

IUPAC2-indol-1-yl-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCSC1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H17N3O3S/c23-18(13-20-10-9-14-3-1-2-4-17(14)20)21-11-12-26-19(21)15-5-7-16(8-6-15)22(24)25/h1-10,19H,11-13H2
InChIKeyXANVXSYRGPLRFA-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.82
Rot. Bonds4

About 2-indol-1-yl-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone

2-indol-1-yl-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 122329750) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-indol-1-yl-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-indol-1-yl-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone
PubChem CID122329750
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name2-indol-1-yl-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCSC1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H17N3O3S/c23-18(13-20-10-9-14-3-1-2-4-17(14)20)21-11-12-26-19(21)15-5-7-16(8-6-15)22(24)25/h1-10,19H,11-13H2
InChIKeyXANVXSYRGPLRFA-UHFFFAOYSA-N
XLogP3.82
TPSA68.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-indol-1-yl-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,4-dichlorophenyl)-1-[(2S)-2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 95776814
2-indol-1-yl-1-thiomorpholin-4-ylethanone
CID 87040837
2-(4-methoxy-3-methylphenyl)-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 122329734
[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 122329725
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
potassium 2-indol-1-ylacetate
CID 172851034
2-(4-nitrophenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 122329691
1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile
CID 49061496
[2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-nitrophenyl)methanone
CID 3257752
(4-nitrophenyl)-(2-pyridin-3-yl-1,3-thiazolidin-3-yl)methanone
CID 5180105
3-[2-oxo-2-(2-phenyl-1,3-thiazolidin-3-yl)ethyl]quinazolin-4-one
CID 122329221
2-indol-1-yl-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 39315127

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2-indol-1-yl-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone (CID 122329750) is 2-indol-1-yl-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2-indol-1-yl-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2-indol-1-yl-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone is O=C(Cn1ccc2ccccc21)N1CCSC1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-indol-1-yl-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is XANVXSYRGPLRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c23-18(13-20-10-9-14-3-1-2-4-17(14)20)21-11-12-26-19(21)15-5-7-16(8-6-15)22(24)25/h1-10,19H,11-13H2.
What are the key properties of 2-indol-1-yl-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone?
2-indol-1-yl-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 367.43 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 122329750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).