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

C23H27N3O3S — CID 6152675

IUPAC(5Z)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-[(1-propylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCCn1cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)c2ccccc21
InChIInChI=1S/C23H27N3O3S/c1-3-10-25-14-17(18-6-4-5-7-19(18)25)13-20-22(28)26(23(29)30-20)15-21(27)24-11-8-16(2)9-12-24/h4-7,13-14,16H,3,8-12,15H2,1-2H3/b20-13-
InChIKeyGHWVLDDICCANMA-MOSHPQCFSA-N
MW425.55 g/mol
LogP4.35
Rot. Bonds5

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

(5Z)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-[(1-propylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 6152675) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is (5Z)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-[(1-propylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-[(1-propylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID6152675
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name(5Z)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-[(1-propylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCCn1cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)c2ccccc21
InChIInChI=1S/C23H27N3O3S/c1-3-10-25-14-17(18-6-4-5-7-19(18)25)13-20-22(28)26(23(29)30-20)15-21(27)24-11-8-16(2)9-12-24/h4-7,13-14,16H,3,8-12,15H2,1-2H3/b20-13-
InChIKeyGHWVLDDICCANMA-MOSHPQCFSA-N
XLogP4.35
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.35
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'}

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Related Compounds

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
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
(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
(5E)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6490258
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
(5E)-5-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 124665727
(5E)-5-[[2-[(2R)-butan-2-yl]oxyphenyl]methylidene]-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 126363430
(5E)-5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 124664053
1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde
CID 820162
(5Z)-5-[[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-3-(2-phenoxyethyl)-1,3-thiazolidine-2,4-dione
CID 126153249
(5Z)-5-[[5-bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 126155055
(5E)-3-ethyl-5-[(1-ethylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1210323

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-[(1-propylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-[(1-propylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 6152675) is (5Z)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-[(1-propylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-[(1-propylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-[(1-propylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione is CCCn1cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)c2ccccc21.
What is the InChIKey of (5Z)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-[(1-propylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is GHWVLDDICCANMA-MOSHPQCFSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-3-10-25-14-17(18-6-4-5-7-19(18)25)13-20-22(28)26(23(29)30-20)15-21(27)24-11-8-16(2)9-12-24/h4-7,13-14,16H,3,8-12,15H2,1-2H3/b20-13-.
What are the key properties of (5Z)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-[(1-propylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-[(1-propylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 425.55 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-[(1-propylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 6152675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).