(5Z)-5-[(3-chloro-4-cyclohexyloxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C16H16ClNO3S — CID 46836201

IUPAC(5Z)-5-[(3-chloro-4-cyclohexyloxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OC3CCCCC3)c(Cl)c2)S1
InChIInChI=1S/C16H16ClNO3S/c17-12-8-10(9-14-15(19)18-16(20)22-14)6-7-13(12)21-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,18,19,20)/b14-9-
InChIKeyDKEZSRKQXRFEHX-ZROIWOOFSA-N
MW337.83 g/mol
LogP4.38
Rot. Bonds3

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

(5Z)-5-[(3-chloro-4-cyclohexyloxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 46836201) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is (5Z)-5-[(3-chloro-4-cyclohexyloxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(3-chloro-4-cyclohexyloxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID46836201
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC Name(5Z)-5-[(3-chloro-4-cyclohexyloxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OC3CCCCC3)c(Cl)c2)S1
InChIInChI=1S/C16H16ClNO3S/c17-12-8-10(9-14-15(19)18-16(20)22-14)6-7-13(12)21-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,18,19,20)/b14-9-
InChIKeyDKEZSRKQXRFEHX-ZROIWOOFSA-N
XLogP4.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 54.38
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

(5E)-5-[4-(benzyloxy)benzylidene]-1,3-thiazolidine-2,4-dione
CID 5751075
5-[[3-Chloro-4-(2-cyclohexylethoxy)phenyl]methylene]-2,4-thiazolidinedione
CID 46836953
(5E)-5-({3-chloro-4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1278132
N-[(5E)-5-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 2175451
(5E)-5-[[4-[2-(2-chlorophenoxy)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2277789
(5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10359359
5-[4-(2-Chloro-4-trifluoromethylphenoxy)-3-methoxybenzylidene]thiazolidine-2,4-dione
CID 25008854
4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-methoxyphenoxy]-3-chlorobenzonitrile
CID 25009191
(5Z)-5-[[4-(cyclohexylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 44319634
(5Z)-5-[[4-[[4-(chloromethyl)phenyl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 46233569
(5Z)-5-[[4-(2-cyclohexyloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 46233571
(5Z)-5-[[3-chloro-4-(cyclohexylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 46836202

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-chloro-4-cyclohexyloxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(3-chloro-4-cyclohexyloxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 46836201) is (5Z)-5-[(3-chloro-4-cyclohexyloxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(3-chloro-4-cyclohexyloxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(3-chloro-4-cyclohexyloxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(OC3CCCCC3)c(Cl)c2)S1.
What is the InChIKey of (5Z)-5-[(3-chloro-4-cyclohexyloxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is DKEZSRKQXRFEHX-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c17-12-8-10(9-14-15(19)18-16(20)22-14)6-7-13(12)21-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,18,19,20)/b14-9-.
What are the key properties of (5Z)-5-[(3-chloro-4-cyclohexyloxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(3-chloro-4-cyclohexyloxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 337.83 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-chloro-4-cyclohexyloxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 46836201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).