N-(3-benzyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-bromophenyl)acetamide;hydrochloride

C24H29BrClN3OS — CID 67349071

IUPACN-(3-benzyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-bromophenyl)acetamide;hydrochloride
SMILESCC(=O)N(c1ccc(Br)cc1)C1CS/C(=N\C2CCCCC2)N1Cc1ccccc1.Cl
InChIInChI=1S/C24H28BrN3OS.ClH/c1-18(29)28(22-14-12-20(25)13-15-22)23-17-30-24(26-21-10-6-3-7-11-21)27(23)16-19-8-4-2-5-9-19;/h2,4-5,8-9,12-15,21,23H,3,6-7,10-11,16-17H2,1H3;1H/b26-24-;
InChIKeyJULSPRLBBIRNOE-FSKGQQLBSA-N
MW522.94 g/mol
LogP6.49
Rot. Bonds5

About N-(3-benzyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-bromophenyl)acetamide;hydrochloride

N-(3-benzyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-bromophenyl)acetamide;hydrochloride (PubChem CID 67349071) has the molecular formula C24H29BrClN3OS and a molecular weight of 522.94 g/mol. Its IUPAC name is N-(3-benzyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-bromophenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-benzyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-bromophenyl)acetamide;hydrochloride
PubChem CID67349071
Molecular FormulaC24H29BrClN3OS
Molecular Weight522.94 g/mol
Exact Mass521.09
IUPAC NameN-(3-benzyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-bromophenyl)acetamide;hydrochloride
SMILESCC(=O)N(c1ccc(Br)cc1)C1CS/C(=N\C2CCCCC2)N1Cc1ccccc1.Cl
InChIInChI=1S/C24H28BrN3OS.ClH/c1-18(29)28(22-14-12-20(25)13-15-22)23-17-30-24(26-21-10-6-3-7-11-21)27(23)16-19-8-4-2-5-9-19;/h2,4-5,8-9,12-15,21,23H,3,6-7,10-11,16-17H2,1H3;1H/b26-24-;
InChIKeyJULSPRLBBIRNOE-FSKGQQLBSA-N
XLogP6.49
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.94
LogP ≤ 56.49
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-(3-benzyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-bromophenyl)acetamide;hydrochloride?
The IUPAC name of N-(3-benzyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-bromophenyl)acetamide;hydrochloride (CID 67349071) is N-(3-benzyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-bromophenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(3-benzyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-bromophenyl)acetamide;hydrochloride?
The canonical SMILES for N-(3-benzyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-bromophenyl)acetamide;hydrochloride is CC(=O)N(c1ccc(Br)cc1)C1CS/C(=N\C2CCCCC2)N1Cc1ccccc1.Cl.
What is the InChIKey of N-(3-benzyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-bromophenyl)acetamide;hydrochloride?
The InChIKey is JULSPRLBBIRNOE-FSKGQQLBSA-N. The full InChI is InChI=1S/C24H28BrN3OS.ClH/c1-18(29)28(22-14-12-20(25)13-15-22)23-17-30-24(26-21-10-6-3-7-11-21)27(23)16-19-8-4-2-5-9-19;/h2,4-5,8-9,12-15,21,23H,3,6-7,10-11,16-17H2,1H3;1H/b26-24-;.
What are the key properties of N-(3-benzyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-bromophenyl)acetamide;hydrochloride?
N-(3-benzyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-bromophenyl)acetamide;hydrochloride has a molecular weight of 522.94 g/mol, XLogP of 6.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-bromophenyl)acetamide;hydrochloride is sourced from PubChem (CID 67349071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).