5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

C14H16N2O3S — CID 4614020

IUPAC5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCN(CC)c1ccc(C=C2SC(=O)NC2=O)c(O)c1
InChIInChI=1S/C14H16N2O3S/c1-3-16(4-2)10-6-5-9(11(17)8-10)7-12-13(18)15-14(19)20-12/h5-8,17H,3-4H2,1-2H3,(H,15,18,19)
InChIKeyCRRHSTJCJCPYGO-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.56
Rot. Bonds4

About 5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 4614020) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID4614020
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCN(CC)c1ccc(C=C2SC(=O)NC2=O)c(O)c1
InChIInChI=1S/C14H16N2O3S/c1-3-16(4-2)10-6-5-9(11(17)8-10)7-12-13(18)15-14(19)20-12/h5-8,17H,3-4H2,1-2H3,(H,15,18,19)
InChIKeyCRRHSTJCJCPYGO-UHFFFAOYSA-N
XLogP2.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 136844847
2-[(5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 102396770
(5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one
CID 137239593
2-[(5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid
CID 18754270
4-(diethylamino)-2-hydroxybenzaldehyde;hydrazine;hydrate
CID 159168735
5-[(5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 3096058
(5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-[(4-fluorophenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 7370822
(5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-2-ethylimino-1,3-thiazolidin-4-one
CID 137165796
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2243892
1-(4-bromophenyl)-4-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]pyrazolidine-3,5-dione
CID 2851531
2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135710875
(5E)-5-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1232264

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 4614020) is 5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione is CCN(CC)c1ccc(C=C2SC(=O)NC2=O)c(O)c1.
What is the InChIKey of 5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is CRRHSTJCJCPYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-3-16(4-2)10-6-5-9(11(17)8-10)7-12-13(18)15-14(19)20-12/h5-8,17H,3-4H2,1-2H3,(H,15,18,19).
What are the key properties of 5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 292.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 4614020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).