2-cycloheptylimino-N-(3,4-difluorophenyl)-3-methyl-1,3-thiazolidine-4-carboxamide

C18H23F2N3OS — CID 140532192

IUPAC2-cycloheptylimino-N-(3,4-difluorophenyl)-3-methyl-1,3-thiazolidine-4-carboxamide
SMILESCN1/C(=N/C2CCCCCC2)SCC1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H23F2N3OS/c1-23-16(17(24)21-13-8-9-14(19)15(20)10-13)11-25-18(23)22-12-6-4-2-3-5-7-12/h8-10,12,16H,2-7,11H2,1H3,(H,21,24)/b22-18-
InChIKeyCOUIEVLXEFVJRG-PYCFMQQDSA-N
MW367.47 g/mol
LogP4.03
Rot. Bonds3

About 2-cycloheptylimino-N-(3,4-difluorophenyl)-3-methyl-1,3-thiazolidine-4-carboxamide

2-cycloheptylimino-N-(3,4-difluorophenyl)-3-methyl-1,3-thiazolidine-4-carboxamide (PubChem CID 140532192) has the molecular formula C18H23F2N3OS and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-cycloheptylimino-N-(3,4-difluorophenyl)-3-methyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2-cycloheptylimino-N-(3,4-difluorophenyl)-3-methyl-1,3-thiazolidine-4-carboxamide
PubChem CID140532192
Molecular FormulaC18H23F2N3OS
Molecular Weight367.47 g/mol
Exact Mass367.15
IUPAC Name2-cycloheptylimino-N-(3,4-difluorophenyl)-3-methyl-1,3-thiazolidine-4-carboxamide
SMILESCN1/C(=N/C2CCCCCC2)SCC1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H23F2N3OS/c1-23-16(17(24)21-13-8-9-14(19)15(20)10-13)11-25-18(23)22-12-6-4-2-3-5-7-12/h8-10,12,16H,2-7,11H2,1H3,(H,21,24)/b22-18-
InChIKeyCOUIEVLXEFVJRG-PYCFMQQDSA-N
XLogP4.03
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.03
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-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide
CID 140532173
N-[(4-chlorophenyl)methyl]-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 140532179
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
N-(4-bromophenyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67348468
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 67351201
2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-ethylphenyl)acetamide
CID 67347610
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 67346873
N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide
CID 110865367
N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide;hydrochloride
CID 67346263
N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 18073046
4-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-2-fluoro-5-nitrobenzamide
CID 67348583

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptylimino-N-(3,4-difluorophenyl)-3-methyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2-cycloheptylimino-N-(3,4-difluorophenyl)-3-methyl-1,3-thiazolidine-4-carboxamide (CID 140532192) is 2-cycloheptylimino-N-(3,4-difluorophenyl)-3-methyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2-cycloheptylimino-N-(3,4-difluorophenyl)-3-methyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2-cycloheptylimino-N-(3,4-difluorophenyl)-3-methyl-1,3-thiazolidine-4-carboxamide is CN1/C(=N/C2CCCCCC2)SCC1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-cycloheptylimino-N-(3,4-difluorophenyl)-3-methyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is COUIEVLXEFVJRG-PYCFMQQDSA-N. The full InChI is InChI=1S/C18H23F2N3OS/c1-23-16(17(24)21-13-8-9-14(19)15(20)10-13)11-25-18(23)22-12-6-4-2-3-5-7-12/h8-10,12,16H,2-7,11H2,1H3,(H,21,24)/b22-18-.
What are the key properties of 2-cycloheptylimino-N-(3,4-difluorophenyl)-3-methyl-1,3-thiazolidine-4-carboxamide?
2-cycloheptylimino-N-(3,4-difluorophenyl)-3-methyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptylimino-N-(3,4-difluorophenyl)-3-methyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 140532192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).