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

C19H25ClFN3OS — CID 67347813

IUPACN-(5-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
SMILESCN1/C(=N/C2CCCCCC2)SCC1CC(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C19H25ClFN3OS/c1-24-15(11-18(25)23-17-10-13(20)8-9-16(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-
InChIKeyPWZSAAZFGCGXJV-QOCHGBHMSA-N
MW397.95 g/mol
LogP4.93
Rot. Bonds4

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

N-(5-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide (PubChem CID 67347813) has the molecular formula C19H25ClFN3OS and a molecular weight of 397.95 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
PubChem CID67347813
Molecular FormulaC19H25ClFN3OS
Molecular Weight397.95 g/mol
Exact Mass397.14
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
SMILESCN1/C(=N/C2CCCCCC2)SCC1CC(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C19H25ClFN3OS/c1-24-15(11-18(25)23-17-10-13(20)8-9-16(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-
InChIKeyPWZSAAZFGCGXJV-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'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide (CID 67347813) is N-(5-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide is CN1/C(=N/C2CCCCCC2)SCC1CC(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
The InChIKey is PWZSAAZFGCGXJV-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H25ClFN3OS/c1-24-15(11-18(25)23-17-10-13(20)8-9-16(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-(5-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
N-(5-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-(5-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide is sourced from PubChem (CID 67347813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).