(5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C18H21NO3S — CID 10359359

IUPAC(5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCCC3CCCCC3)cc2)S1
InChIInChI=1S/C18H21NO3S/c20-17-16(23-18(21)19-17)12-14-6-8-15(9-7-14)22-11-10-13-4-2-1-3-5-13/h6-9,12-13H,1-5,10-11H2,(H,19,20,21)/b16-12-
InChIKeyCLEUCPOFSQRVKY-VBKFSLOCSA-N
MW331.44 g/mol
LogP4.36
Rot. Bonds5

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

(5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 10359359) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is (5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID10359359
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name(5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCCC3CCCCC3)cc2)S1
InChIInChI=1S/C18H21NO3S/c20-17-16(23-18(21)19-17)12-14-6-8-15(9-7-14)22-11-10-13-4-2-1-3-5-13/h6-9,12-13H,1-5,10-11H2,(H,19,20,21)/b16-12-
InChIKeyCLEUCPOFSQRVKY-VBKFSLOCSA-N
XLogP4.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.36
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 10359359) is (5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(OCCC3CCCCC3)cc2)S1.
What is the InChIKey of (5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is CLEUCPOFSQRVKY-VBKFSLOCSA-N. The full InChI is InChI=1S/C18H21NO3S/c20-17-16(23-18(21)19-17)12-14-6-8-15(9-7-14)22-11-10-13-4-2-1-3-5-13/h6-9,12-13H,1-5,10-11H2,(H,19,20,21)/b16-12-.
What are the key properties of (5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 331.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10359359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).