N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide

C20H27Cl2N3OS — CID 67348398

IUPACN-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide
SMILESCCCN1/C(=N/C2CCCCC2)SCC1N(C(C)=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H27Cl2N3OS/c1-3-9-24-19(13-27-20(24)23-17-7-5-4-6-8-17)25(14(2)26)18-11-15(21)10-16(22)12-18/h10-12,17,19H,3-9,13H2,1-2H3/b23-20-
InChIKeyLUPOZHZYNOYVAD-ATJXCDBQSA-N
MW428.43 g/mol
LogP5.82
Rot. Bonds5

About N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide

N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide (PubChem CID 67348398) has the molecular formula C20H27Cl2N3OS and a molecular weight of 428.43 g/mol. Its IUPAC name is N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide
PubChem CID67348398
Molecular FormulaC20H27Cl2N3OS
Molecular Weight428.43 g/mol
Exact Mass427.13
IUPAC NameN-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide
SMILESCCCN1/C(=N/C2CCCCC2)SCC1N(C(C)=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H27Cl2N3OS/c1-3-9-24-19(13-27-20(24)23-17-7-5-4-6-8-17)25(14(2)26)18-11-15(21)10-16(22)12-18/h10-12,17,19H,3-9,13H2,1-2H3/b23-20-
InChIKeyLUPOZHZYNOYVAD-ATJXCDBQSA-N
XLogP5.82
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.43
LogP ≤ 55.82
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-propyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide?
The IUPAC name of N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide (CID 67348398) is N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide.
What is the SMILES notation for N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide?
The canonical SMILES for N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide is CCCN1/C(=N/C2CCCCC2)SCC1N(C(C)=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide?
The InChIKey is LUPOZHZYNOYVAD-ATJXCDBQSA-N. The full InChI is InChI=1S/C20H27Cl2N3OS/c1-3-9-24-19(13-27-20(24)23-17-7-5-4-6-8-17)25(14(2)26)18-11-15(21)10-16(22)12-18/h10-12,17,19H,3-9,13H2,1-2H3/b23-20-.
What are the key properties of N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide?
N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide has a molecular weight of 428.43 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 67348398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).