N-(4-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide

C19H25ClFN3OS — CID 67347735

IUPACN-(4-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
SMILESCN1/C(=N/C2CCCCCC2)SCC1CC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C19H25ClFN3OS/c1-24-15(11-18(25)23-17-9-8-13(20)10-16(17)21)12-26-19(24)22-14-6-4-2-3-5-7-14/h8-10,14-15H,2-7,11-12H2,1H3,(H,23,25)/b22-19-
InChIKeyDFODLYSWLLLNAW-QOCHGBHMSA-N
MW397.95 g/mol
LogP4.93
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide

N-(4-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide (PubChem CID 67347735) has the molecular formula C19H25ClFN3OS and a molecular weight of 397.95 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
PubChem CID67347735
Molecular FormulaC19H25ClFN3OS
Molecular Weight397.95 g/mol
Exact Mass397.14
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
SMILESCN1/C(=N/C2CCCCCC2)SCC1CC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C19H25ClFN3OS/c1-24-15(11-18(25)23-17-9-8-13(20)10-16(17)21)12-26-19(24)22-14-6-4-2-3-5-7-14/h8-10,14-15H,2-7,11-12H2,1H3,(H,23,25)/b22-19-
InChIKeyDFODLYSWLLLNAW-QOCHGBHMSA-N
XLogP4.93
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-2-(3-oxo-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide
CID 2937826
2-{2-[(4-chlorophenyl)imino]-3-ethyl-4-oxo-1,3-thiazolidin-5-yl}-N-ethylacetamide
CID 3972953
1-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 3155567
2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-chlorophenyl)acetamide
CID 135501982
N-(4-chlorophenyl)-2-[2-(3-methoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135488861
2-[(4-chlorophenyl)imino]-N-(2-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3139997
N-(4-fluorophenyl)-2-(5-oxo-7-propyl-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868483
N-(3-chloro-4-fluorophenyl)-2-(7-isopropyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868708
N-(3-chloro-4-fluorophenyl)-2-(6-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 44044844
2-[2-(4-chloro-2-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 44452842
N-(4-Chlorophenyl)-2-[(3-fluorophenyl)imino]-2,3-dihydro-3-methyl-4-thiazoleacetamide
CID 44453041
2-[2-(3-chloro-4-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-(4-chlorophenyl)acetamide
CID 44453062

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide (CID 67347735) is N-(4-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide is CN1/C(=N/C2CCCCCC2)SCC1CC(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
The InChIKey is DFODLYSWLLLNAW-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H25ClFN3OS/c1-24-15(11-18(25)23-17-9-8-13(20)10-16(17)21)12-26-19(24)22-14-6-4-2-3-5-7-14/h8-10,14-15H,2-7,11-12H2,1H3,(H,23,25)/b22-19-.
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
N-(4-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide has a molecular weight of 397.95 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide is sourced from PubChem (CID 67347735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).