(5Z)-3-(2-chlorophenyl)-5-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

C26H24ClN3O3S — CID 126146943

IUPAC(5Z)-3-(2-chlorophenyl)-5-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCC1CCN(C(=O)Cn2cc(/C=C3\SC(=O)N(c4ccccc4Cl)C3=O)c3ccccc32)CC1
InChIInChI=1S/C26H24ClN3O3S/c1-17-10-12-28(13-11-17)24(31)16-29-15-18(19-6-2-4-8-21(19)29)14-23-25(32)30(26(33)34-23)22-9-5-3-7-20(22)27/h2-9,14-15,17H,10-13,16H2,1H3/b23-14-
InChIKeyHLEHPJDMUZDJHM-UCQKPKSFSA-N
MW494.02 g/mol
LogP5.79
Rot. Bonds4

About (5Z)-3-(2-chlorophenyl)-5-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-3-(2-chlorophenyl)-5-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 126146943) has the molecular formula C26H24ClN3O3S and a molecular weight of 494.02 g/mol. Its IUPAC name is (5Z)-3-(2-chlorophenyl)-5-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(2-chlorophenyl)-5-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID126146943
Molecular FormulaC26H24ClN3O3S
Molecular Weight494.02 g/mol
Exact Mass493.12
IUPAC Name(5Z)-3-(2-chlorophenyl)-5-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCC1CCN(C(=O)Cn2cc(/C=C3\SC(=O)N(c4ccccc4Cl)C3=O)c3ccccc32)CC1
InChIInChI=1S/C26H24ClN3O3S/c1-17-10-12-28(13-11-17)24(31)16-29-15-18(19-6-2-4-8-21(19)29)14-23-25(32)30(26(33)34-23)22-9-5-3-7-20(22)27/h2-9,14-15,17H,10-13,16H2,1H3/b23-14-
InChIKeyHLEHPJDMUZDJHM-UCQKPKSFSA-N
XLogP5.79
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.02
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5Z)-3-(2-chlorophenyl)-5-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

(5Z)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-[(1-propylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6152675
(5Z)-5-[[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 126130473
N-(4-fluorophenyl)-2-[(5Z)-5-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126143065
1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde
CID 820162
(5Z)-5-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]indol-3-yl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 126148246
(5Z)-3-[(2-chlorophenyl)methyl]-5-[[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126152179
(5Z)-3-(3-chlorophenyl)-5-[[7-ethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126141690
N-(4-fluorophenyl)-2-[3-[(Z)-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide
CID 126278320
(5Z)-3-[(2-chlorophenyl)methyl]-5-[[1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126145004
(5Z)-3-methyl-5-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 44714377
5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 3788100
methyl 2-[3-[[2,4-dioxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetate
CID 3895925

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2-chlorophenyl)-5-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(2-chlorophenyl)-5-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 126146943) is (5Z)-3-(2-chlorophenyl)-5-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(2-chlorophenyl)-5-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(2-chlorophenyl)-5-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione is CC1CCN(C(=O)Cn2cc(/C=C3\SC(=O)N(c4ccccc4Cl)C3=O)c3ccccc32)CC1.
What is the InChIKey of (5Z)-3-(2-chlorophenyl)-5-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is HLEHPJDMUZDJHM-UCQKPKSFSA-N. The full InChI is InChI=1S/C26H24ClN3O3S/c1-17-10-12-28(13-11-17)24(31)16-29-15-18(19-6-2-4-8-21(19)29)14-23-25(32)30(26(33)34-23)22-9-5-3-7-20(22)27/h2-9,14-15,17H,10-13,16H2,1H3/b23-14-.
What are the key properties of (5Z)-3-(2-chlorophenyl)-5-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-(2-chlorophenyl)-5-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 494.02 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2-chlorophenyl)-5-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126146943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).