(5Z)-3-(4-methoxyphenyl)-5-[2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C24H23N3O3S2 — CID 6274587

IUPAC(5Z)-3-(4-methoxyphenyl)-5-[2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)/C(=C3/C(=O)N(CN4CCCCC4)c4ccccc43)SC2=S)cc1
InChIInChI=1S/C24H23N3O3S2/c1-30-17-11-9-16(10-12-17)27-23(29)21(32-24(27)31)20-18-7-3-4-8-19(18)26(22(20)28)15-25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-15H2,1H3/b21-20-
InChIKeyWPQBZLBEKFSAGH-MRCUWXFGSA-N
MW465.60 g/mol
LogP4.26
Rot. Bonds4

About (5Z)-3-(4-methoxyphenyl)-5-[2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-3-(4-methoxyphenyl)-5-[2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 6274587) has the molecular formula C24H23N3O3S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is (5Z)-3-(4-methoxyphenyl)-5-[2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(4-methoxyphenyl)-5-[2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID6274587
Molecular FormulaC24H23N3O3S2
Molecular Weight465.60 g/mol
Exact Mass465.12
IUPAC Name(5Z)-3-(4-methoxyphenyl)-5-[2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)/C(=C3/C(=O)N(CN4CCCCC4)c4ccccc43)SC2=S)cc1
InChIInChI=1S/C24H23N3O3S2/c1-30-17-11-9-16(10-12-17)27-23(29)21(32-24(27)31)20-18-7-3-4-8-19(18)26(22(20)28)15-25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-15H2,1H3/b21-20-
InChIKeyWPQBZLBEKFSAGH-MRCUWXFGSA-N
XLogP4.26
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (5Z)-3-(4-methoxyphenyl)-5-[2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one 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-(4-chlorophenyl)-5-[1-(morpholin-4-ylmethyl)-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3505302
methyl 2-[(3Z)-3-[3-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetate
CID 19168275
3-(4-methylphenyl)-5-(2-oxo-1-prop-2-enylindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4267809
5-(1-benzyl-2-oxoindol-3-ylidene)-3-(2,5-dimethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4277154
3-(2,5-dimethoxyphenyl)-5-(2-oxo-1-prop-2-enylindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5214770
(5Z)-5-(1-heptyl-2-oxoindol-3-ylidene)-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 19165116
methyl 2-[(3Z)-3-[3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetate
CID 19168276
methyl 2-[3-[3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetate
CID 23791301
(5E)-3-(azepan-1-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18529066
2-[3-[3-(3-chloro-4-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetic acid
CID 5155956
2-[(3Z)-3-[3-(2,3-dimethylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetic acid
CID 5499479
(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-(4-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6137087

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-methoxyphenyl)-5-[2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-(4-methoxyphenyl)-5-[2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 6274587) is (5Z)-3-(4-methoxyphenyl)-5-[2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-(4-methoxyphenyl)-5-[2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-(4-methoxyphenyl)-5-[2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is COc1ccc(N2C(=O)/C(=C3/C(=O)N(CN4CCCCC4)c4ccccc43)SC2=S)cc1.
What is the InChIKey of (5Z)-3-(4-methoxyphenyl)-5-[2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is WPQBZLBEKFSAGH-MRCUWXFGSA-N. The full InChI is InChI=1S/C24H23N3O3S2/c1-30-17-11-9-16(10-12-17)27-23(29)21(32-24(27)31)20-18-7-3-4-8-19(18)26(22(20)28)15-25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-15H2,1H3/b21-20-.
What are the key properties of (5Z)-3-(4-methoxyphenyl)-5-[2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-3-(4-methoxyphenyl)-5-[2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 465.60 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-methoxyphenyl)-5-[2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 6274587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).