(2Z)-2-[3-(4-chloro-3-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclohexylacetamide

C19H20ClN3O2S — CID 2341207

IUPAC(2Z)-2-[3-(4-chloro-3-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclohexylacetamide
SMILESCc1cc(N2C(=O)CS/C2=C(/C#N)C(=O)NC2CCCCC2)ccc1Cl
InChIInChI=1S/C19H20ClN3O2S/c1-12-9-14(7-8-16(12)20)23-17(24)11-26-19(23)15(10-21)18(25)22-13-5-3-2-4-6-13/h7-9,13H,2-6,11H2,1H3,(H,22,25)/b19-15-
InChIKeyRGMYHRHICUXFHC-CYVLTUHYSA-N
MW389.91 g/mol
LogP3.91
Rot. Bonds3

About (2Z)-2-[3-(4-chloro-3-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclohexylacetamide

(2Z)-2-[3-(4-chloro-3-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclohexylacetamide (PubChem CID 2341207) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is (2Z)-2-[3-(4-chloro-3-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclohexylacetamide.

Molecular Properties

Compound Name(2Z)-2-[3-(4-chloro-3-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclohexylacetamide
PubChem CID2341207
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC Name(2Z)-2-[3-(4-chloro-3-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclohexylacetamide
SMILESCc1cc(N2C(=O)CS/C2=C(/C#N)C(=O)NC2CCCCC2)ccc1Cl
InChIInChI=1S/C19H20ClN3O2S/c1-12-9-14(7-8-16(12)20)23-17(24)11-26-19(23)15(10-21)18(25)22-13-5-3-2-4-6-13/h7-9,13H,2-6,11H2,1H3,(H,22,25)/b19-15-
InChIKeyRGMYHRHICUXFHC-CYVLTUHYSA-N
XLogP3.91
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[3-(4-chloro-3-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclohexylacetamide?
The IUPAC name of (2Z)-2-[3-(4-chloro-3-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclohexylacetamide (CID 2341207) is (2Z)-2-[3-(4-chloro-3-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclohexylacetamide.
What is the SMILES notation for (2Z)-2-[3-(4-chloro-3-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclohexylacetamide?
The canonical SMILES for (2Z)-2-[3-(4-chloro-3-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclohexylacetamide is Cc1cc(N2C(=O)CS/C2=C(/C#N)C(=O)NC2CCCCC2)ccc1Cl.
What is the InChIKey of (2Z)-2-[3-(4-chloro-3-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclohexylacetamide?
The InChIKey is RGMYHRHICUXFHC-CYVLTUHYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-12-9-14(7-8-16(12)20)23-17(24)11-26-19(23)15(10-21)18(25)22-13-5-3-2-4-6-13/h7-9,13H,2-6,11H2,1H3,(H,22,25)/b19-15-.
What are the key properties of (2Z)-2-[3-(4-chloro-3-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclohexylacetamide?
(2Z)-2-[3-(4-chloro-3-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclohexylacetamide has a molecular weight of 389.91 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[3-(4-chloro-3-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclohexylacetamide is sourced from PubChem (CID 2341207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).