N-[2-chloro-5-(trifluoromethyl)phenyl]-3-propyl-1,3-thiazolidin-2-imine

C13H14ClF3N2S — CID 4852847

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-3-propyl-1,3-thiazolidin-2-imine
SMILESCCCN1CCS/C1=N\c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H14ClF3N2S/c1-2-5-19-6-7-20-12(19)18-11-8-9(13(15,16)17)3-4-10(11)14/h3-4,8H,2,5-7H2,1H3/b18-12-
InChIKeyXKCXQYKRFCPUPR-PDGQHHTCSA-N
MW322.78 g/mol
LogP4.81
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-3-propyl-1,3-thiazolidin-2-imine

N-[2-chloro-5-(trifluoromethyl)phenyl]-3-propyl-1,3-thiazolidin-2-imine (PubChem CID 4852847) has the molecular formula C13H14ClF3N2S and a molecular weight of 322.78 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-propyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-propyl-1,3-thiazolidin-2-imine
PubChem CID4852847
Molecular FormulaC13H14ClF3N2S
Molecular Weight322.78 g/mol
Exact Mass322.05
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-propyl-1,3-thiazolidin-2-imine
SMILESCCCN1CCS/C1=N\c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H14ClF3N2S/c1-2-5-19-6-7-20-12(19)18-11-8-9(13(15,16)17)3-4-10(11)14/h3-4,8H,2,5-7H2,1H3/b18-12-
InChIKeyXKCXQYKRFCPUPR-PDGQHHTCSA-N
XLogP4.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.78
LogP ≤ 54.81
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

m-Toluidine, 6-chloro-alpha,alpha,alpha-trifluoro-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-
CID 297485
{3-[4-(4-Chlorophenyl)-2-(phenylazamethylene)(1,3-thiazolin-3-yl)]propyl}dimet hylamine
CID 1279760
3-Ethyl-4-methyl-2-{[3-(trifluoromethyl)phenyl]azamethylene}-1,3-thiazoline
CID 741664
methyl N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboximidothioate
CID 2804513
3-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
CID 4846637
(Z)-4-(4-Chlorophenyl)-3-ethyl-N-phenylthiazol-2(3H)-imine
CID 693919
N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 297738
N-(4-(4-Chlorophenyl)-3-pentyl-1,3-thiazol-2(3H)-ylidene)aniline
CID 3502339
methyl N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboximidothioate;hydroiodide
CID 2804512
N-[(2Z)-4-(4-chlorophenyl)-3-(2-phenylethyl)-1,3-thiazol-2(3H)-ylidene]-3-(trifluoromethyl)aniline
CID 3530060
N-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine;hydrochloride
CID 24194506
methyl N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboximidothioate iodide
CID 45108420

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-propyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-propyl-1,3-thiazolidin-2-imine (CID 4852847) is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-propyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-propyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-propyl-1,3-thiazolidin-2-imine is CCCN1CCS/C1=N\c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-propyl-1,3-thiazolidin-2-imine?
The InChIKey is XKCXQYKRFCPUPR-PDGQHHTCSA-N. The full InChI is InChI=1S/C13H14ClF3N2S/c1-2-5-19-6-7-20-12(19)18-11-8-9(13(15,16)17)3-4-10(11)14/h3-4,8H,2,5-7H2,1H3/b18-12-.
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-propyl-1,3-thiazolidin-2-imine?
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-propyl-1,3-thiazolidin-2-imine has a molecular weight of 322.78 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-propyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 4852847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).