N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride

C20H29ClFN3OS — CID 67346263

IUPACN-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride
SMILESCC(=O)N(c1ccc(C)cc1F)C1CS/C(=N\C2CCCCCC2)N1C.Cl
InChIInChI=1S/C20H28FN3OS.ClH/c1-14-10-11-18(17(21)12-14)24(15(2)25)19-13-26-20(23(19)3)22-16-8-6-4-5-7-9-16;/h10-12,16,19H,4-9,13H2,1-3H3;1H/b22-20-;
InChIKeyATQJASUCSOHLSL-KGYDJYTLSA-N
MW413.99 g/mol
LogP4.99
Rot. Bonds3

About N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride

N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride (PubChem CID 67346263) has the molecular formula C20H29ClFN3OS and a molecular weight of 413.99 g/mol. Its IUPAC name is N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride
PubChem CID67346263
Molecular FormulaC20H29ClFN3OS
Molecular Weight413.99 g/mol
Exact Mass413.17
IUPAC NameN-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride
SMILESCC(=O)N(c1ccc(C)cc1F)C1CS/C(=N\C2CCCCCC2)N1C.Cl
InChIInChI=1S/C20H28FN3OS.ClH/c1-14-10-11-18(17(21)12-14)24(15(2)25)19-13-26-20(23(19)3)22-16-8-6-4-5-7-9-16;/h10-12,16,19H,4-9,13H2,1-3H3;1H/b22-20-;
InChIKeyATQJASUCSOHLSL-KGYDJYTLSA-N
XLogP4.99
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.99
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)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-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride?
The IUPAC name of N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride (CID 67346263) is N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride is CC(=O)N(c1ccc(C)cc1F)C1CS/C(=N\C2CCCCCC2)N1C.Cl.
What is the InChIKey of N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride?
The InChIKey is ATQJASUCSOHLSL-KGYDJYTLSA-N. The full InChI is InChI=1S/C20H28FN3OS.ClH/c1-14-10-11-18(17(21)12-14)24(15(2)25)19-13-26-20(23(19)3)22-16-8-6-4-5-7-9-16;/h10-12,16,19H,4-9,13H2,1-3H3;1H/b22-20-;.
What are the key properties of N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride?
N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride has a molecular weight of 413.99 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 67346263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).