(5Z)-5-[(2-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C14H14N2O2S — CID 89110146

IUPAC(5Z)-5-[(2-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccccc2N2CCCC2)S1
InChIInChI=1S/C14H14N2O2S/c17-13-12(19-14(18)15-13)9-10-5-1-2-6-11(10)16-7-3-4-8-16/h1-2,5-6,9H,3-4,7-8H2,(H,15,17,18)/b12-9-
InChIKeyFWBZAGDSLUFBKL-XFXZXTDPSA-N
MW274.35 g/mol
LogP2.61
Rot. Bonds2

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

(5Z)-5-[(2-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 89110146) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is (5Z)-5-[(2-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID89110146
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name(5Z)-5-[(2-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccccc2N2CCCC2)S1
InChIInChI=1S/C14H14N2O2S/c17-13-12(19-14(18)15-13)9-10-5-1-2-6-11(10)16-7-3-4-8-16/h1-2,5-6,9H,3-4,7-8H2,(H,15,17,18)/b12-9-
InChIKeyFWBZAGDSLUFBKL-XFXZXTDPSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.61
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

5-[(2-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 75571053
5-[[2-(3-aminopyrrolidin-1-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;hydrochloride
CID 173069432
5-[[2-[4-(3-aminopropanoyl)-1,4-diazepan-1-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;hydrochloride
CID 173069519
(5Z)-5-[[2-[4-(5-aminopentanoyl)-1,4-diazepan-1-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;hydrochloride
CID 87386056
5-[[2-[4-(4-aminobutanoyl)piperazin-1-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;hydrochloride
CID 173069406
tert-butyl N-[(3R)-1-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]piperidin-3-yl]carbamate
CID 58423252
2-tert-butyl-4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]piperazine-1-carboxylic acid
CID 87386531
(5E)-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2243788
5-[(3-propan-2-yloxy-2-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 90837457
tert-butyl N-[5-[4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-1,4-diazepan-1-yl]-5-oxopentyl]carbamate
CID 58423119
5-[(3-chloro-2-piperazin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 76782327
tert-butyl N-[5-[4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]piperazin-1-yl]-5-oxopentyl]carbamate
CID 91336761

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 89110146) is (5Z)-5-[(2-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccccc2N2CCCC2)S1.
What is the InChIKey of (5Z)-5-[(2-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is FWBZAGDSLUFBKL-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H14N2O2S/c17-13-12(19-14(18)15-13)9-10-5-1-2-6-11(10)16-7-3-4-8-16/h1-2,5-6,9H,3-4,7-8H2,(H,15,17,18)/b12-9-.
What are the key properties of (5Z)-5-[(2-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(2-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 274.35 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 89110146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).