N-(5-chloro-2-fluorophenyl)-2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide

C15H17ClFN3OS — CID 67348368

IUPACN-(5-chloro-2-fluorophenyl)-2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
SMILESCN1/C(=N/C2CC2)SCC1CC(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C15H17ClFN3OS/c1-20-11(8-22-15(20)18-10-3-4-10)7-14(21)19-13-6-9(16)2-5-12(13)17/h2,5-6,10-11H,3-4,7-8H2,1H3,(H,19,21)/b18-15-
InChIKeyGEJPAUXSMOVAOJ-SDXDJHTJSA-N
MW341.84 g/mol
LogP3.37
Rot. Bonds4

About N-(5-chloro-2-fluorophenyl)-2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide

N-(5-chloro-2-fluorophenyl)-2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide (PubChem CID 67348368) has the molecular formula C15H17ClFN3OS and a molecular weight of 341.84 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
PubChem CID67348368
Molecular FormulaC15H17ClFN3OS
Molecular Weight341.84 g/mol
Exact Mass341.08
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
SMILESCN1/C(=N/C2CC2)SCC1CC(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C15H17ClFN3OS/c1-20-11(8-22-15(20)18-10-3-4-10)7-14(21)19-13-6-9(16)2-5-12(13)17/h2,5-6,10-11H,3-4,7-8H2,1H3,(H,19,21)/b18-15-
InChIKeyGEJPAUXSMOVAOJ-SDXDJHTJSA-N
XLogP3.37
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67347813
N-(4-chloro-2-fluorophenyl)-2-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67349773
2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,5-dichlorophenyl)acetamide
CID 67349502
N-(5-chloro-2-fluorophenyl)-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide
CID 140532173
2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 67347315
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,4-dichlorophenyl)acetamide
CID 67347825
2-[2-(1-adamantylimino)-3-propyl-1,3-thiazolidin-4-yl]-N-(5-chloro-2-fluorophenyl)acetamide;hydrochloride
CID 67349758
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide
CID 67348533
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 67346873
2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide
CID 67346202
N-(4-chlorophenyl)-2-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)acetamide;hydrochloride
CID 67347786
2-cycloheptylimino-N-(3,4-difluorophenyl)-3-methyl-1,3-thiazolidine-4-carboxamide
CID 140532192

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide (CID 67348368) is N-(5-chloro-2-fluorophenyl)-2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide is CN1/C(=N/C2CC2)SCC1CC(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
The InChIKey is GEJPAUXSMOVAOJ-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H17ClFN3OS/c1-20-11(8-22-15(20)18-10-3-4-10)7-14(21)19-13-6-9(16)2-5-12(13)17/h2,5-6,10-11H,3-4,7-8H2,1H3,(H,19,21)/b18-15-.
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
N-(5-chloro-2-fluorophenyl)-2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide has a molecular weight of 341.84 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide is sourced from PubChem (CID 67348368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).