N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2Z)-4-oxo-2-[(E)-[2-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2Z)-4-oxo-2-[(E)-[2-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2Z)-4-oxo-2-[(E)-[2-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135666026) has the molecular formula C21H18ClF3N4O3S and a molecular weight of 498.91 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2Z)-4-oxo-2-[(E)-[2-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound Name	N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2Z)-4-oxo-2-[(E)-[2-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
PubChem CID	135666026
Molecular Formula	C21H18ClF3N4O3S
Molecular Weight	498.91 g/mol
Exact Mass	498.07
IUPAC Name	N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2Z)-4-oxo-2-[(E)-[2-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
SMILES	COc1cc(Cl)c(C)cc1NC(=O)CC1S/C(=N\N=C\c2ccccc2C(F)(F)F)NC1=O
InChI	InChI=1S/C21H18ClF3N4O3S/c1-11-7-15(16(32-2)8-14(11)22)27-18(30)9-17-19(31)28-20(33-17)29-26-10-12-5-3-4-6-13(12)21(23,24)25/h3-8,10,17H,9H2,1-2H3,(H,27,30)(H,28,29,31)/b26-10+
InChIKey	YSGZKLJKEBASKS-NSKAYECMSA-N
XLogP	4.63
TPSA	92.15 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.91
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2Z)-4-oxo-2-[(E)-[2-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?

The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2Z)-4-oxo-2-[(E)-[2-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide (CID 135666026) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2Z)-4-oxo-2-[(E)-[2-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide.

What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2Z)-4-oxo-2-[(E)-[2-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?

The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2Z)-4-oxo-2-[(E)-[2-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide is COc1cc(Cl)c(C)cc1NC(=O)CC1S/C(=N\N=C\c2ccccc2C(F)(F)F)NC1=O.

What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2Z)-4-oxo-2-[(E)-[2-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?

The InChIKey is YSGZKLJKEBASKS-NSKAYECMSA-N. The full InChI is InChI=1S/C21H18ClF3N4O3S/c1-11-7-15(16(32-2)8-14(11)22)27-18(30)9-17-19(31)28-20(33-17)29-26-10-12-5-3-4-6-13(12)21(23,24)25/h3-8,10,17H,9H2,1-2H3,(H,27,30)(H,28,29,31)/b26-10+.

What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2Z)-4-oxo-2-[(E)-[2-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2Z)-4-oxo-2-[(E)-[2-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 498.91 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2Z)-4-oxo-2-[(E)-[2-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135666026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).