N-(2-cycloheptylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride

C23H36ClN3OS — CID 67349065

IUPACN-(2-cycloheptylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
SMILESCC(=O)N(c1ccc(C(C)C)cc1)C1C(C)S/C(=N\C2CCCCCC2)N1C.Cl
InChIInChI=1S/C23H35N3OS.ClH/c1-16(2)19-12-14-21(15-13-19)26(18(4)27)22-17(3)28-23(25(22)5)24-20-10-8-6-7-9-11-20;/h12-17,20,22H,6-11H2,1-5H3;1H/b24-23-;
InChIKeyLVJGCUUQNUOYAV-DCXSSQDFSA-N
MW438.08 g/mol
LogP6.06
Rot. Bonds4

About N-(2-cycloheptylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride

N-(2-cycloheptylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride (PubChem CID 67349065) has the molecular formula C23H36ClN3OS and a molecular weight of 438.08 g/mol. Its IUPAC name is N-(2-cycloheptylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-cycloheptylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
PubChem CID67349065
Molecular FormulaC23H36ClN3OS
Molecular Weight438.08 g/mol
Exact Mass437.23
IUPAC NameN-(2-cycloheptylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
SMILESCC(=O)N(c1ccc(C(C)C)cc1)C1C(C)S/C(=N\C2CCCCCC2)N1C.Cl
InChIInChI=1S/C23H35N3OS.ClH/c1-16(2)19-12-14-21(15-13-19)26(18(4)27)22-17(3)28-23(25(22)5)24-20-10-8-6-7-9-11-20;/h12-17,20,22H,6-11H2,1-5H3;1H/b24-23-;
InChIKeyLVJGCUUQNUOYAV-DCXSSQDFSA-N
XLogP6.06
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.08
LogP ≤ 56.06
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-cycloheptylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride?
The IUPAC name of N-(2-cycloheptylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride (CID 67349065) is N-(2-cycloheptylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-cycloheptylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-cycloheptylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride is CC(=O)N(c1ccc(C(C)C)cc1)C1C(C)S/C(=N\C2CCCCCC2)N1C.Cl.
What is the InChIKey of N-(2-cycloheptylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride?
The InChIKey is LVJGCUUQNUOYAV-DCXSSQDFSA-N. The full InChI is InChI=1S/C23H35N3OS.ClH/c1-16(2)19-12-14-21(15-13-19)26(18(4)27)22-17(3)28-23(25(22)5)24-20-10-8-6-7-9-11-20;/h12-17,20,22H,6-11H2,1-5H3;1H/b24-23-;.
What are the key properties of N-(2-cycloheptylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride?
N-(2-cycloheptylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride has a molecular weight of 438.08 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cycloheptylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 67349065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).