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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Related Compounds

N-(1-Butyl-2-pyrrolidinylidene)-4-chloro-2-methylbenzenamine
CID 213767
2-[(4-Chlorophenyl)azamethylene]-5-methyl-4-phenyl-3-prop-2-enyl-1,3-thiazolin e
CID 4478571
4-Chloro-2-methyl-N-(1-(2-propenyl)-2-pyrrolidinylidene)benzenamine
CID 213797
Pyrrolidine, 1-butyl-2-((4-chloro-2-(trifluoromethyl)phenyl)imino)-
CID 3039744
N-(1-(3-Butenyl)-2-pyrrolidinylidene)-4-chloro-2-methylbenzenamine
CID 3039748
4-Chloro-2-methyl-N-(1-(2-methyl-2-propenyl)-2-pyrrolidinylidene)benzenamine
CID 3039751
Pyrrolidine, 1-(3-chloro-2-propenyl)-2-((4-chloro-2-(trifluoromethyl)phenyl)imino)-
CID 6444997
N-(1-(2-Butenyl)-2-pyrrolidinylidene)-4-chloro-2-methylbenzenamine
CID 6445877
methyl N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboximidothioate
CID 2804508
N-(4-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2865536
N-(4-chlorophenyl)-4-cyclopropyl-5-(2-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
CID 139232312
methyl N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboximidothioate;hydroiodide
CID 2804507

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).