N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropyl)-1,3-thiazolidin-2-imine

C14H16ClF3N2S — CID 18316200

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropyl)-1,3-thiazolidin-2-imine
SMILESCC(C)CN1CCS/C1=N\c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H16ClF3N2S/c1-9(2)8-20-5-6-21-13(20)19-12-4-3-10(15)7-11(12)14(16,17)18/h3-4,7,9H,5-6,8H2,1-2H3/b19-13-
InChIKeyBNIVTUDLDNVLLP-UYRXBGFRSA-N
MW336.81 g/mol
LogP5.05
Rot. Bonds3

About N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropyl)-1,3-thiazolidin-2-imine

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropyl)-1,3-thiazolidin-2-imine (PubChem CID 18316200) has the molecular formula C14H16ClF3N2S and a molecular weight of 336.81 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropyl)-1,3-thiazolidin-2-imine
PubChem CID18316200
Molecular FormulaC14H16ClF3N2S
Molecular Weight336.81 g/mol
Exact Mass336.07
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropyl)-1,3-thiazolidin-2-imine
SMILESCC(C)CN1CCS/C1=N\c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H16ClF3N2S/c1-9(2)8-20-5-6-21-13(20)19-12-4-3-10(15)7-11(12)14(16,17)18/h3-4,7,9H,5-6,8H2,1-2H3/b19-13-
InChIKeyBNIVTUDLDNVLLP-UYRXBGFRSA-N
XLogP5.05
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.81
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropyl)-1,3-thiazolidin-2-imine?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropyl)-1,3-thiazolidin-2-imine (CID 18316200) is N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropyl)-1,3-thiazolidin-2-imine is CC(C)CN1CCS/C1=N\c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropyl)-1,3-thiazolidin-2-imine?
The InChIKey is BNIVTUDLDNVLLP-UYRXBGFRSA-N. The full InChI is InChI=1S/C14H16ClF3N2S/c1-9(2)8-20-5-6-21-13(20)19-12-4-3-10(15)7-11(12)14(16,17)18/h3-4,7,9H,5-6,8H2,1-2H3/b19-13-.
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropyl)-1,3-thiazolidin-2-imine?
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropyl)-1,3-thiazolidin-2-imine has a molecular weight of 336.81 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 18316200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).