N-(4-bromophenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide

C18H24BrN3OS — CID 67348470

IUPACN-(4-bromophenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
SMILESCC(=O)N(c1ccc(Br)cc1)C1CS/C(=N\C2CCCCC2)N1C
InChIInChI=1S/C18H24BrN3OS/c1-13(23)22(16-10-8-14(19)9-11-16)17-12-24-18(21(17)2)20-15-6-4-3-5-7-15/h8-11,15,17H,3-7,12H2,1-2H3/b20-18-
InChIKeyKGTZXLSDXZJPFE-ZZEZOPTASA-N
MW410.38 g/mol
LogP4.50
Rot. Bonds3

About N-(4-bromophenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide

N-(4-bromophenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide (PubChem CID 67348470) has the molecular formula C18H24BrN3OS and a molecular weight of 410.38 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
PubChem CID67348470
Molecular FormulaC18H24BrN3OS
Molecular Weight410.38 g/mol
Exact Mass409.08
IUPAC NameN-(4-bromophenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
SMILESCC(=O)N(c1ccc(Br)cc1)C1CS/C(=N\C2CCCCC2)N1C
InChIInChI=1S/C18H24BrN3OS/c1-13(23)22(16-10-8-14(19)9-11-16)17-12-24-18(21(17)2)20-15-6-4-3-5-7-15/h8-11,15,17H,3-7,12H2,1-2H3/b20-18-
InChIKeyKGTZXLSDXZJPFE-ZZEZOPTASA-N
XLogP4.50
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 54.50
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-(4-bromophenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide (CID 67348470) is N-(4-bromophenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide is CC(=O)N(c1ccc(Br)cc1)C1CS/C(=N\C2CCCCC2)N1C.
What is the InChIKey of N-(4-bromophenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
The InChIKey is KGTZXLSDXZJPFE-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H24BrN3OS/c1-13(23)22(16-10-8-14(19)9-11-16)17-12-24-18(21(17)2)20-15-6-4-3-5-7-15/h8-11,15,17H,3-7,12H2,1-2H3/b20-18-.
What are the key properties of N-(4-bromophenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
N-(4-bromophenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide has a molecular weight of 410.38 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide is sourced from PubChem (CID 67348470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).