(5Z)-3-(2-aminoethyl)-5-[(2,5-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C14H16N2O2S — CID 109375747

IUPAC(5Z)-3-(2-aminoethyl)-5-[(2,5-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(C)c(/C=C2\SC(=O)N(CCN)C2=O)c1
InChIInChI=1S/C14H16N2O2S/c1-9-3-4-10(2)11(7-9)8-12-13(17)16(6-5-15)14(18)19-12/h3-4,7-8H,5-6,15H2,1-2H3/b12-8-
InChIKeyPAPDPDPBHWJUMB-WQLSENKSSA-N
MW276.36 g/mol
LogP2.30
Rot. Bonds3

About (5Z)-3-(2-aminoethyl)-5-[(2,5-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-3-(2-aminoethyl)-5-[(2,5-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 109375747) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is (5Z)-3-(2-aminoethyl)-5-[(2,5-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(2-aminoethyl)-5-[(2,5-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID109375747
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name(5Z)-3-(2-aminoethyl)-5-[(2,5-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(C)c(/C=C2\SC(=O)N(CCN)C2=O)c1
InChIInChI=1S/C14H16N2O2S/c1-9-3-4-10(2)11(7-9)8-12-13(17)16(6-5-15)14(18)19-12/h3-4,7-8H,5-6,15H2,1-2H3/b12-8-
InChIKeyPAPDPDPBHWJUMB-WQLSENKSSA-N
XLogP2.30
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(5Z)-3-(2-aminoethyl)-5-[(2,5-difluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 43312714
(5Z)-3-(2-aminoethyl)-5-[(5-bromo-2-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 43328126
3-(2-aminoethyl)-5-[(2-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 74869783
3-(2-aminoethyl)-5-[(3-fluoro-4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 77055560
(5Z)-3-(2-aminoethyl)-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2415283
(5E)-3-(2-aminoethyl)-5-[(2-methylpyrimidin-4-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 113328892
(5Z)-3-(2-aminoethyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione chloride
CID 21178192
(5E)-3-(2-aminoethyl)-5-[(4-propylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 90235754
(5E)-3-(2-aminoethyl)-5-[(3-bromophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2414261
(5E)-5-[(2-fluorophenyl)methylidene]-3-[(3-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 124665221
(5E)-5-[[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-(2-methoxyethyl)-1,3-thiazolidine-2,4-dione
CID 126141277
3-(2-aminoethyl)-5-[(3-methylimidazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 77113033

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2-aminoethyl)-5-[(2,5-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(2-aminoethyl)-5-[(2,5-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 109375747) is (5Z)-3-(2-aminoethyl)-5-[(2,5-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(2-aminoethyl)-5-[(2,5-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(2-aminoethyl)-5-[(2,5-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is Cc1ccc(C)c(/C=C2\SC(=O)N(CCN)C2=O)c1.
What is the InChIKey of (5Z)-3-(2-aminoethyl)-5-[(2,5-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is PAPDPDPBHWJUMB-WQLSENKSSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-3-4-10(2)11(7-9)8-12-13(17)16(6-5-15)14(18)19-12/h3-4,7-8H,5-6,15H2,1-2H3/b12-8-.
What are the key properties of (5Z)-3-(2-aminoethyl)-5-[(2,5-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-(2-aminoethyl)-5-[(2,5-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 276.36 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2-aminoethyl)-5-[(2,5-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 109375747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).