phenyl (NZ)-N-[5-methylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]carbamate

C18H13F3N2O2S — CID 15239683

IUPACphenyl (NZ)-N-[5-methylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]carbamate
SMILESC=C1CN(c2cccc(C(F)(F)F)c2)/C(=N/C(=O)Oc2ccccc2)S1
InChIInChI=1S/C18H13F3N2O2S/c1-12-11-23(14-7-5-6-13(10-14)18(19,20)21)16(26-12)22-17(24)25-15-8-3-2-4-9-15/h2-10H,1,11H2/b22-16-
InChIKeyLODGUTWLXHKKDP-JWGURIENSA-N
MW378.38 g/mol
LogP5.33
Rot. Bonds2

About phenyl (NZ)-N-[5-methylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]carbamate

phenyl (NZ)-N-[5-methylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]carbamate (PubChem CID 15239683) has the molecular formula C18H13F3N2O2S and a molecular weight of 378.38 g/mol. Its IUPAC name is phenyl (NZ)-N-[5-methylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]carbamate.

Molecular Properties

Compound Namephenyl (NZ)-N-[5-methylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]carbamate
PubChem CID15239683
Molecular FormulaC18H13F3N2O2S
Molecular Weight378.38 g/mol
Exact Mass378.06
IUPAC Namephenyl (NZ)-N-[5-methylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]carbamate
SMILESC=C1CN(c2cccc(C(F)(F)F)c2)/C(=N/C(=O)Oc2ccccc2)S1
InChIInChI=1S/C18H13F3N2O2S/c1-12-11-23(14-7-5-6-13(10-14)18(19,20)21)16(26-12)22-17(24)25-15-8-3-2-4-9-15/h2-10H,1,11H2/b22-16-
InChIKeyLODGUTWLXHKKDP-JWGURIENSA-N
XLogP5.33
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.38
LogP ≤ 55.33
H-Bond Donors ≤ 50
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 phenyl (NZ)-N-[5-methylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]carbamate?
The IUPAC name of phenyl (NZ)-N-[5-methylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]carbamate (CID 15239683) is phenyl (NZ)-N-[5-methylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]carbamate.
What is the SMILES notation for phenyl (NZ)-N-[5-methylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]carbamate?
The canonical SMILES for phenyl (NZ)-N-[5-methylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]carbamate is C=C1CN(c2cccc(C(F)(F)F)c2)/C(=N/C(=O)Oc2ccccc2)S1.
What is the InChIKey of phenyl (NZ)-N-[5-methylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]carbamate?
The InChIKey is LODGUTWLXHKKDP-JWGURIENSA-N. The full InChI is InChI=1S/C18H13F3N2O2S/c1-12-11-23(14-7-5-6-13(10-14)18(19,20)21)16(26-12)22-17(24)25-15-8-3-2-4-9-15/h2-10H,1,11H2/b22-16-.
What are the key properties of phenyl (NZ)-N-[5-methylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]carbamate?
phenyl (NZ)-N-[5-methylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]carbamate has a molecular weight of 378.38 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (NZ)-N-[5-methylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]carbamate is sourced from PubChem (CID 15239683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).