N-methyl-1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine

C14H15F3N2OS — CID 61280131

IUPACN-methyl-1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1sc(-c2ccccc2OC(F)(F)F)nc1C
InChIInChI=1S/C14H15F3N2OS/c1-8(18-3)12-9(2)19-13(21-12)10-6-4-5-7-11(10)20-14(15,16)17/h4-8,18H,1-3H3
InChIKeyTVWGQXXMIGUMSS-UHFFFAOYSA-N
MW316.35 g/mol
LogP4.30
Rot. Bonds4

About N-methyl-1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine

N-methyl-1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine (PubChem CID 61280131) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine
PubChem CID61280131
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC NameN-methyl-1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1sc(-c2ccccc2OC(F)(F)F)nc1C
InChIInChI=1S/C14H15F3N2OS/c1-8(18-3)12-9(2)19-13(21-12)10-6-4-5-7-11(10)20-14(15,16)17/h4-8,18H,1-3H3
InChIKeyTVWGQXXMIGUMSS-UHFFFAOYSA-N
XLogP4.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61282666
1-[2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 81305150
1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287800
N-methyl-1-[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]ethanamine
CID 61280133
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 54593693
N-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine
CID 61287607
4-(2-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 82540427
N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide
CID 95934089
N-ethyl-1-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 106792889
N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanamine
CID 61282283
1-[2-[2-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 64770334

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine (CID 61280131) is N-methyl-1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine is CNC(C)c1sc(-c2ccccc2OC(F)(F)F)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine?
The InChIKey is TVWGQXXMIGUMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c1-8(18-3)12-9(2)19-13(21-12)10-6-4-5-7-11(10)20-14(15,16)17/h4-8,18H,1-3H3.
What are the key properties of N-methyl-1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine?
N-methyl-1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine has a molecular weight of 316.35 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 61280131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).