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

C14H15F3N2S — CID 62797395

IUPACN-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(Cc1nc(C)cs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H15F3N2S/c1-9-8-20-13(19-9)7-12(18-2)10-5-3-4-6-11(10)14(15,16)17/h3-6,8,12,18H,7H2,1-2H3
InChIKeyBWZPIBDNLTZTBR-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.97
Rot. Bonds4

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

N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 62797395) has the molecular formula C14H15F3N2S and a molecular weight of 300.35 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID62797395
Molecular FormulaC14H15F3N2S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC NameN-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(Cc1nc(C)cs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H15F3N2S/c1-9-8-20-13(19-9)7-12(18-2)10-5-3-4-6-11(10)14(15,16)17/h3-6,8,12,18H,7H2,1-2H3
InChIKeyBWZPIBDNLTZTBR-UHFFFAOYSA-N
XLogP3.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 107288871
1-(2-tert-butylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019330
N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 61330734
1-(1-benzothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019355
1-(2-bromofuran-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106858291
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-thiophen-2-ylethanamine
CID 62795850
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-4-ylethanamine
CID 105171422
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 82769305
(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 24890731
1-(4-bromothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 79594998
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 79820357
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-quinoxalin-2-ylethanamine
CID 107357336

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine (CID 62797395) is N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine is CNC(Cc1nc(C)cs1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is BWZPIBDNLTZTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2S/c1-9-8-20-13(19-9)7-12(18-2)10-5-3-4-6-11(10)14(15,16)17/h3-6,8,12,18H,7H2,1-2H3.
What are the key properties of N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 300.35 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 62797395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).