N-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-4-methoxybenzamide

C19H17N3O3S — CID 3808537

IUPACN-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NN2C(=O)CSC2c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H17N3O3S/c1-25-13-8-6-12(7-9-13)18(24)21-22-17(23)11-26-19(22)15-10-20-16-5-3-2-4-14(15)16/h2-10,19-20H,11H2,1H3,(H,21,24)
InChIKeyVSIFQMWUTBTYBL-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.10
Rot. Bonds4

About N-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-4-methoxybenzamide

N-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-4-methoxybenzamide (PubChem CID 3808537) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-4-methoxybenzamide
PubChem CID3808537
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NN2C(=O)CSC2c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H17N3O3S/c1-25-13-8-6-12(7-9-13)18(24)21-22-17(23)11-26-19(22)15-10-20-16-5-3-2-4-14(15)16/h2-10,19-20H,11H2,1H3,(H,21,24)
InChIKeyVSIFQMWUTBTYBL-UHFFFAOYSA-N
XLogP3.10
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-3-(2-methylphenyl)thiourea
CID 1274730
N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-3,5-dinitrobenzamide
CID 15272755
2-carbazol-9-yl-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 10812585
2-(1H-indol-3-yl)-3-propyl-1,3-thiazolidin-4-one
CID 4679955
N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-methoxybenzamide
CID 135647008
4-chloro-N-[(2R)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]benzamide
CID 682122
methyl 3-[3-(2-ethylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-yl]-1H-indole-6-carboxylate
CID 3869284
(2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 41414916
(4E)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,3-dione
CID 108695582
methyl 3-[3-[2-(2-hydroxyethylsulfanyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]-1H-indole-6-carboxylate
CID 3780470
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 94012941
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 46764264

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-4-methoxybenzamide (CID 3808537) is N-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)NN2C(=O)CSC2c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-4-methoxybenzamide?
The InChIKey is VSIFQMWUTBTYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-25-13-8-6-12(7-9-13)18(24)21-22-17(23)11-26-19(22)15-10-20-16-5-3-2-4-14(15)16/h2-10,19-20H,11H2,1H3,(H,21,24).
What are the key properties of N-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-4-methoxybenzamide?
N-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-4-methoxybenzamide has a molecular weight of 367.43 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 3808537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).