N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3,5-difluoro-2-methylphenyl)acetamide;hydrochloride

C20H28ClF2N3OS — CID 67346320

IUPACN-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3,5-difluoro-2-methylphenyl)acetamide;hydrochloride
SMILESCC(=O)N(c1cc(F)cc(F)c1C)C1C(C)S/C(=N\C2CCCCC2)N1C.Cl
InChIInChI=1S/C20H27F2N3OS.ClH/c1-12-17(22)10-15(21)11-18(12)25(14(3)26)19-13(2)27-20(24(19)4)23-16-8-6-5-7-9-16;/h10-11,13,16,19H,5-9H2,1-4H3;1H/b23-20-;
InChIKeyQWWDCFWXRSCZIJ-QTXBERLJSA-N
MW431.98 g/mol
LogP5.13
Rot. Bonds3

About N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3,5-difluoro-2-methylphenyl)acetamide;hydrochloride

N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3,5-difluoro-2-methylphenyl)acetamide;hydrochloride (PubChem CID 67346320) has the molecular formula C20H28ClF2N3OS and a molecular weight of 431.98 g/mol. Its IUPAC name is N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3,5-difluoro-2-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3,5-difluoro-2-methylphenyl)acetamide;hydrochloride
PubChem CID67346320
Molecular FormulaC20H28ClF2N3OS
Molecular Weight431.98 g/mol
Exact Mass431.16
IUPAC NameN-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3,5-difluoro-2-methylphenyl)acetamide;hydrochloride
SMILESCC(=O)N(c1cc(F)cc(F)c1C)C1C(C)S/C(=N\C2CCCCC2)N1C.Cl
InChIInChI=1S/C20H27F2N3OS.ClH/c1-12-17(22)10-15(21)11-18(12)25(14(3)26)19-13(2)27-20(24(19)4)23-16-8-6-5-7-9-16;/h10-11,13,16,19H,5-9H2,1-4H3;1H/b23-20-;
InChIKeyQWWDCFWXRSCZIJ-QTXBERLJSA-N
XLogP5.13
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.98
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3,5-difluoro-2-methylphenyl)acetamide;hydrochloride?
The IUPAC name of N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3,5-difluoro-2-methylphenyl)acetamide;hydrochloride (CID 67346320) is N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3,5-difluoro-2-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3,5-difluoro-2-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3,5-difluoro-2-methylphenyl)acetamide;hydrochloride is CC(=O)N(c1cc(F)cc(F)c1C)C1C(C)S/C(=N\C2CCCCC2)N1C.Cl.
What is the InChIKey of N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3,5-difluoro-2-methylphenyl)acetamide;hydrochloride?
The InChIKey is QWWDCFWXRSCZIJ-QTXBERLJSA-N. The full InChI is InChI=1S/C20H27F2N3OS.ClH/c1-12-17(22)10-15(21)11-18(12)25(14(3)26)19-13(2)27-20(24(19)4)23-16-8-6-5-7-9-16;/h10-11,13,16,19H,5-9H2,1-4H3;1H/b23-20-;.
What are the key properties of N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3,5-difluoro-2-methylphenyl)acetamide;hydrochloride?
N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3,5-difluoro-2-methylphenyl)acetamide;hydrochloride has a molecular weight of 431.98 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3,5-difluoro-2-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 67346320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).