N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]formamide

C20H26F3N3OS — CID 87365138

IUPACN-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]formamide
SMILESCN1/C(=N/C2CCCCCC2)SCC1N(C=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C20H26F3N3OS/c1-25-18(13-28-19(25)24-16-9-4-2-3-5-10-16)26(14-27)12-15-8-6-7-11-17(15)20(21,22)23/h6-8,11,14,16,18H,2-5,9-10,12-13H2,1H3/b24-19-
InChIKeyBZXJCUZVQOENDZ-CLCOLTQESA-N
MW413.51 g/mol
LogP4.75
Rot. Bonds5

About N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]formamide

N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]formamide (PubChem CID 87365138) has the molecular formula C20H26F3N3OS and a molecular weight of 413.51 g/mol. Its IUPAC name is N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]formamide.

Molecular Properties

Compound NameN-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]formamide
PubChem CID87365138
Molecular FormulaC20H26F3N3OS
Molecular Weight413.51 g/mol
Exact Mass413.17
IUPAC NameN-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]formamide
SMILESCN1/C(=N/C2CCCCCC2)SCC1N(C=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C20H26F3N3OS/c1-25-18(13-28-19(25)24-16-9-4-2-3-5-10-16)26(14-27)12-15-8-6-7-11-17(15)20(21,22)23/h6-8,11,14,16,18H,2-5,9-10,12-13H2,1H3/b24-19-
InChIKeyBZXJCUZVQOENDZ-CLCOLTQESA-N
XLogP4.75
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]formamide?
The IUPAC name of N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]formamide (CID 87365138) is N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]formamide.
What is the SMILES notation for N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]formamide?
The canonical SMILES for N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]formamide is CN1/C(=N/C2CCCCCC2)SCC1N(C=O)Cc1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]formamide?
The InChIKey is BZXJCUZVQOENDZ-CLCOLTQESA-N. The full InChI is InChI=1S/C20H26F3N3OS/c1-25-18(13-28-19(25)24-16-9-4-2-3-5-10-16)26(14-27)12-15-8-6-7-11-17(15)20(21,22)23/h6-8,11,14,16,18H,2-5,9-10,12-13H2,1H3/b24-19-.
What are the key properties of N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]formamide?
N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]formamide has a molecular weight of 413.51 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]formamide is sourced from PubChem (CID 87365138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).