3-ethyl-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine

C13H13F3N2S — CID 741664

IUPAC3-ethyl-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
SMILESCCn1c(C)cs/c1=N\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2S/c1-3-18-9(2)8-19-12(18)17-11-6-4-5-10(7-11)13(14,15)16/h4-8H,3H2,1-2H3/b17-12-
InChIKeyQMWFBXQFVJALLB-ATVHPVEESA-N
MW286.32 g/mol
LogP4.13
Rot. Bonds2

About 3-ethyl-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine

3-ethyl-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine (PubChem CID 741664) has the molecular formula C13H13F3N2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 3-ethyl-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-ethyl-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
PubChem CID741664
Molecular FormulaC13H13F3N2S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC Name3-ethyl-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
SMILESCCn1c(C)cs/c1=N\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2S/c1-3-18-9(2)8-19-12(18)17-11-6-4-5-10(7-11)13(14,15)16/h4-8H,3H2,1-2H3/b17-12-
InChIKeyQMWFBXQFVJALLB-ATVHPVEESA-N
XLogP4.13
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

Cymiazole
CID 43714
S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea
CID 3311
4-methyl-N-(2-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide
CID 16196028
S-Ethyl N-[4-Triflurormethyl)phenyl]isothio Urea, Hydrochloride
CID 2733516
N-(4-methylphenyl)-N-(3,4,5-trimethyl-1,3-thiazol-2(3H)-ylidene)amine
CID 823454
Diethyl{2-[4-phenyl-2-(phenylazamethylene)(1,3-thiazolin-3-yl)]ethyl}amine
CID 1537448
(Z)-methyl 5,5-dimethyl-2-(2-(trifluoromethyl)phenylimino)-1,3-thiazinane-3-carbodithioate
CID 44441205
Mls003107098
CID 304836
Carbamimidothioic acid, [2-(trifluoromethyl)phenyl]-, ethyl ester
CID 10538489
1-[3-(Trifluoromethyl)phenyl]-2-ethylisothiourea
CID 10800554
methyl N-[3,5-bis(trifluoromethyl)phenyl]piperidine-1-carboximidothioate
CID 2804517
ethyl N'-[3-(trifluoromethyl)phenyl]carbamimidothioate;hydrochloride
CID 45260344

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine?
The IUPAC name of 3-ethyl-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine (CID 741664) is 3-ethyl-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine.
What is the SMILES notation for 3-ethyl-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine?
The canonical SMILES for 3-ethyl-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine is CCn1c(C)cs/c1=N\c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-ethyl-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine?
The InChIKey is QMWFBXQFVJALLB-ATVHPVEESA-N. The full InChI is InChI=1S/C13H13F3N2S/c1-3-18-9(2)8-19-12(18)17-11-6-4-5-10(7-11)13(14,15)16/h4-8H,3H2,1-2H3/b17-12-.
What are the key properties of 3-ethyl-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine?
3-ethyl-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine has a molecular weight of 286.32 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine is sourced from PubChem (CID 741664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).