2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride

About 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride

2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride (PubChem CID 67349479) has the molecular formula C20H27ClF3N3OS and a molecular weight of 449.97 g/mol. Its IUPAC name is 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name	2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
PubChem CID	67349479
Molecular Formula	C20H27ClF3N3OS
Molecular Weight	449.97 g/mol
Exact Mass	449.15
IUPAC Name	2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
SMILES	CC1S/C(=N\C2CCCCC2)N(C)C1CC(=O)Nc1ccc(C(F)(F)F)cc1.Cl
InChI	InChI=1S/C20H26F3N3OS.ClH/c1-13-17(26(2)19(28-13)25-15-6-4-3-5-7-15)12-18(27)24-16-10-8-14(9-11-16)20(21,22)23;/h8-11,13,15,17H,3-7,12H2,1-2H3,(H,24,27);1H/b25-19-;
InChIKey	KLMZYVWEQFFXMP-VQFXXQHUSA-N
XLogP	5.58
TPSA	44.70 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.97
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride?

The IUPAC name of 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride (CID 67349479) is 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride.

What is the SMILES notation for 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride?

The canonical SMILES for 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride is CC1S/C(=N\C2CCCCC2)N(C)C1CC(=O)Nc1ccc(C(F)(F)F)cc1.Cl.

What is the InChIKey of 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride?

The InChIKey is KLMZYVWEQFFXMP-VQFXXQHUSA-N. The full InChI is InChI=1S/C20H26F3N3OS.ClH/c1-13-17(26(2)19(28-13)25-15-6-4-3-5-7-15)12-18(27)24-16-10-8-14(9-11-16)20(21,22)23;/h8-11,13,15,17H,3-7,12H2,1-2H3,(H,24,27);1H/b25-19-;.

What are the key properties of 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride?

2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride has a molecular weight of 449.97 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 67349479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).