5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-imine

C11H9F3N2OS — CID 21480091

IUPAC5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-imine
SMILES[H]/N=c1\sc(C)cn1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H9F3N2OS/c1-7-6-16(10(15)18-7)8-3-2-4-9(5-8)17-11(12,13)14/h2-6,15H,1H3/b15-10-
InChIKeySASJYCOEXHMSQW-GDNBJRDFSA-N
MW274.27 g/mol
LogP3.23
Rot. Bonds2

About 5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-imine

5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-imine (PubChem CID 21480091) has the molecular formula C11H9F3N2OS and a molecular weight of 274.27 g/mol. Its IUPAC name is 5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-imine
PubChem CID21480091
Molecular FormulaC11H9F3N2OS
Molecular Weight274.27 g/mol
Exact Mass274.04
IUPAC Name5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-imine
SMILES[H]/N=c1\sc(C)cn1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H9F3N2OS/c1-7-6-16(10(15)18-7)8-3-2-4-9(5-8)17-11(12,13)14/h2-6,15H,1H3/b15-10-
InChIKeySASJYCOEXHMSQW-GDNBJRDFSA-N
XLogP3.23
TPSA38.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[3-(trifluoromethoxy)phenyl]pyrrole
CID 70285773
2-methyl-1-[3-(trifluoromethoxy)phenyl]imidazole
CID 173241716
3-[4-fluoro-3-(trichloromethyl)phenyl]-5-methyl-1,3-thiazol-2-imine
CID 140996382
ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 142064343
4-chloro-1-[3-(trifluoromethoxy)phenyl]pyrrole-2-carboxylic acid
CID 114603671
1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene
CID 69380346
1-methyl-1-[3-(trifluoromethoxy)phenyl]guanidine
CID 123341497
3-(2-tert-butylsulfanylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine;hydrochloride
CID 14674477
3-(2-methylsulfonylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine;hydrochloride
CID 67922388
6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine
CID 167692317
3-[2-(4-phenylpiperazin-1-yl)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine
CID 10550153

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-imine?
The IUPAC name of 5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-imine (CID 21480091) is 5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-imine.
What is the SMILES notation for 5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-imine?
The canonical SMILES for 5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-imine is [H]/N=c1\sc(C)cn1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-imine?
The InChIKey is SASJYCOEXHMSQW-GDNBJRDFSA-N. The full InChI is InChI=1S/C11H9F3N2OS/c1-7-6-16(10(15)18-7)8-3-2-4-9(5-8)17-11(12,13)14/h2-6,15H,1H3/b15-10-.
What are the key properties of 5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-imine?
5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-imine has a molecular weight of 274.27 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-imine is sourced from PubChem (CID 21480091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).