N-(5-chloro-2-fluorophenyl)-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide

C18H23ClFN3OS — CID 140532173

IUPACN-(5-chloro-2-fluorophenyl)-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide
SMILESCN1/C(=N/C2CCCCCC2)SCC1C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C18H23ClFN3OS/c1-23-16(17(24)22-15-10-12(19)8-9-14(15)20)11-25-18(23)21-13-6-4-2-3-5-7-13/h8-10,13,16H,2-7,11H2,1H3,(H,22,24)/b21-18-
InChIKeyZXPMGCRCFAYNBM-UZYVYHOESA-N
MW383.92 g/mol
LogP4.54
Rot. Bonds3

About N-(5-chloro-2-fluorophenyl)-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide

N-(5-chloro-2-fluorophenyl)-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide (PubChem CID 140532173) has the molecular formula C18H23ClFN3OS and a molecular weight of 383.92 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide
PubChem CID140532173
Molecular FormulaC18H23ClFN3OS
Molecular Weight383.92 g/mol
Exact Mass383.12
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide
SMILESCN1/C(=N/C2CCCCCC2)SCC1C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C18H23ClFN3OS/c1-23-16(17(24)22-15-10-12(19)8-9-14(15)20)11-25-18(23)21-13-6-4-2-3-5-7-13/h8-10,13,16H,2-7,11H2,1H3,(H,22,24)/b21-18-
InChIKeyZXPMGCRCFAYNBM-UZYVYHOESA-N
XLogP4.54
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 54.54
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

2-cycloheptylimino-N-(3,4-difluorophenyl)-3-methyl-1,3-thiazolidine-4-carboxamide
CID 140532192
N-(5-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67347813
N-(5-chloro-2-fluorophenyl)-2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67348368
N-(4-chloro-2-fluorophenyl)-2-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67349773
2-cycloheptylimino-N-[(3-fluorophenyl)methyl]-3-methyl-1,3-thiazolidine-4-carboxamide
CID 140532184
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3,4-dichlorophenyl)acetamide
CID 67347825
2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide
CID 64822915
1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea
CID 47103534
1-amino-3-(5-chloro-2-fluorophenyl)-2-cyclohexylguanidine
CID 116513196
N-(4-chloro-2-fluorophenyl)-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide
CID 25120309
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide
CID 67348533
N-(5-chloro-2-methoxyphenyl)-2-[(5R)-2-cyclohexylimino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 1217522

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide (CID 140532173) is N-(5-chloro-2-fluorophenyl)-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide is CN1/C(=N/C2CCCCCC2)SCC1C(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZXPMGCRCFAYNBM-UZYVYHOESA-N. The full InChI is InChI=1S/C18H23ClFN3OS/c1-23-16(17(24)22-15-10-12(19)8-9-14(15)20)11-25-18(23)21-13-6-4-2-3-5-7-13/h8-10,13,16H,2-7,11H2,1H3,(H,22,24)/b21-18-.
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide?
N-(5-chloro-2-fluorophenyl)-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 383.92 g/mol, XLogP of 4.54, 3 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-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 140532173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).