2-[(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-5-amino-5-oxopentanoic acid

C18H15N3O6S2 — CID 18841666

IUPAC2-[(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-5-amino-5-oxopentanoic acid
SMILESCC(=O)N1C(=O)/C(=C2\SC(=S)N(C(CCC(N)=O)C(=O)O)C2=O)c2ccccc21
InChIInChI=1S/C18H15N3O6S2/c1-8(22)20-10-5-3-2-4-9(10)13(15(20)24)14-16(25)21(18(28)29-14)11(17(26)27)6-7-12(19)23/h2-5,11H,6-7H2,1H3,(H2,19,23)(H,26,27)/b14-13-
InChIKeyIYKCLMFGHODNAP-YPKPFQOOSA-N
MW433.47 g/mol
LogP0.87
Rot. Bonds5

About 2-[(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-5-amino-5-oxopentanoic acid

2-[(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-5-amino-5-oxopentanoic acid (PubChem CID 18841666) has the molecular formula C18H15N3O6S2 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-[(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-5-amino-5-oxopentanoic acid.

Molecular Properties

Compound Name2-[(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-5-amino-5-oxopentanoic acid
PubChem CID18841666
Molecular FormulaC18H15N3O6S2
Molecular Weight433.47 g/mol
Exact Mass433.04
IUPAC Name2-[(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-5-amino-5-oxopentanoic acid
SMILESCC(=O)N1C(=O)/C(=C2\SC(=S)N(C(CCC(N)=O)C(=O)O)C2=O)c2ccccc21
InChIInChI=1S/C18H15N3O6S2/c1-8(22)20-10-5-3-2-4-9(10)13(15(20)24)14-16(25)21(18(28)29-14)11(17(26)27)6-7-12(19)23/h2-5,11H,6-7H2,1H3,(H2,19,23)(H,26,27)/b14-13-
InChIKeyIYKCLMFGHODNAP-YPKPFQOOSA-N
XLogP0.87
TPSA138.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-5-amino-5-oxopentanoic acid 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

2-[(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CID 3150764
2-[5-(1-methyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid
CID 3800972
3-[3-(1-carboxy-2-phenylethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindole-1-carboxylic acid
CID 72967562
(2R)-2,6-bis[(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CID 99666790
2-[(5Z)-5-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid
CID 6199635
2-[5-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid
CID 4737503
6-[(5E)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CID 2046238
6-[(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CID 2046241
3-[(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
CID 2046245
3-[(5E)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
CID 2046242
(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-(4-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6137087
2-[5-[1-(carboxymethyl)-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CID 3535432

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-5-amino-5-oxopentanoic acid?
The IUPAC name of 2-[(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-5-amino-5-oxopentanoic acid (CID 18841666) is 2-[(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-5-amino-5-oxopentanoic acid.
What is the SMILES notation for 2-[(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-5-amino-5-oxopentanoic acid?
The canonical SMILES for 2-[(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-5-amino-5-oxopentanoic acid is CC(=O)N1C(=O)/C(=C2\SC(=S)N(C(CCC(N)=O)C(=O)O)C2=O)c2ccccc21.
What is the InChIKey of 2-[(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-5-amino-5-oxopentanoic acid?
The InChIKey is IYKCLMFGHODNAP-YPKPFQOOSA-N. The full InChI is InChI=1S/C18H15N3O6S2/c1-8(22)20-10-5-3-2-4-9(10)13(15(20)24)14-16(25)21(18(28)29-14)11(17(26)27)6-7-12(19)23/h2-5,11H,6-7H2,1H3,(H2,19,23)(H,26,27)/b14-13-.
What are the key properties of 2-[(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-5-amino-5-oxopentanoic acid?
2-[(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-5-amino-5-oxopentanoic acid has a molecular weight of 433.47 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-5-amino-5-oxopentanoic acid is sourced from PubChem (CID 18841666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).