N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine

C13H13F3N2S — CID 61330734

IUPACN-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1nc(C)cs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H13F3N2S/c1-8-7-19-12(18-8)11(17-2)9-5-3-4-6-10(9)13(14,15)16/h3-7,11,17H,1-2H3
InChIKeyWLPTUBGDGPYFRU-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.78
Rot. Bonds3

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

N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 61330734) has the molecular formula C13H13F3N2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID61330734
Molecular FormulaC13H13F3N2S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC NameN-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1nc(C)cs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H13F3N2S/c1-8-7-19-12(18-8)11(17-2)9-5-3-4-6-10(9)13(14,15)16/h3-7,11,17H,1-2H3
InChIKeyWLPTUBGDGPYFRU-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 61334029
N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 61332142
1-(2-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 62413912
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 62797395
N-methyl-1-(6-methyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 63555777
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 103405957
1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62801643
N-methyl-1-(6-methyl-3-pyridinyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115854651
1-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115850344
N-methyl-1-(2-methylfuran-3-yl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 104789859
1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 61332307
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 79583531

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine (CID 61330734) is N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine is CNC(c1nc(C)cs1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is WLPTUBGDGPYFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S/c1-8-7-19-12(18-8)11(17-2)9-5-3-4-6-10(9)13(14,15)16/h3-7,11,17H,1-2H3.
What are the key properties of N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine?
N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 286.32 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 61330734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).