N-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride

C24H32Cl2FN3OS — CID 67350802

IUPACN-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride
SMILESCCCN1/C(=N\C23CC4CC(CC(C4)C2)C3)SCC1N(C(C)=O)c1ccc(Cl)cc1F.Cl
InChIInChI=1S/C24H31ClFN3OS.ClH/c1-3-6-28-22(29(15(2)30)21-5-4-19(25)10-20(21)26)14-31-23(28)27-24-11-16-7-17(12-24)9-18(8-16)13-24;/h4-5,10,16-18,22H,3,6-9,11-14H2,1-2H3;1H/b27-23+;
InChIKeyHKBOEZCOSNJWKS-VZXOMLSWSA-N
MW500.51 g/mol
LogP6.36
Rot. Bonds5

About N-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride

N-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride (PubChem CID 67350802) has the molecular formula C24H32Cl2FN3OS and a molecular weight of 500.51 g/mol. Its IUPAC name is N-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride
PubChem CID67350802
Molecular FormulaC24H32Cl2FN3OS
Molecular Weight500.51 g/mol
Exact Mass499.16
IUPAC NameN-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride
SMILESCCCN1/C(=N\C23CC4CC(CC(C4)C2)C3)SCC1N(C(C)=O)c1ccc(Cl)cc1F.Cl
InChIInChI=1S/C24H31ClFN3OS.ClH/c1-3-6-28-22(29(15(2)30)21-5-4-19(25)10-20(21)26)14-31-23(28)27-24-11-16-7-17(12-24)9-18(8-16)13-24;/h4-5,10,16-18,22H,3,6-9,11-14H2,1-2H3;1H/b27-23+;
InChIKeyHKBOEZCOSNJWKS-VZXOMLSWSA-N
XLogP6.36
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.51
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride?
The IUPAC name of N-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride (CID 67350802) is N-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride is CCCN1/C(=N\C23CC4CC(CC(C4)C2)C3)SCC1N(C(C)=O)c1ccc(Cl)cc1F.Cl.
What is the InChIKey of N-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride?
The InChIKey is HKBOEZCOSNJWKS-VZXOMLSWSA-N. The full InChI is InChI=1S/C24H31ClFN3OS.ClH/c1-3-6-28-22(29(15(2)30)21-5-4-19(25)10-20(21)26)14-31-23(28)27-24-11-16-7-17(12-24)9-18(8-16)13-24;/h4-5,10,16-18,22H,3,6-9,11-14H2,1-2H3;1H/b27-23+;.
What are the key properties of N-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride?
N-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride has a molecular weight of 500.51 g/mol, XLogP of 6.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 67350802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).