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

C14H14F4N2S — CID 107288871

IUPAC1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nc(C)cs1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H14F4N2S/c1-8-7-21-13(20-8)6-12(19-2)9-3-4-10(11(15)5-9)14(16,17)18/h3-5,7,12,19H,6H2,1-2H3
InChIKeyRQEMWZCOCDLQRS-UHFFFAOYSA-N
MW318.34 g/mol
LogP4.11
Rot. Bonds4

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

1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 107288871) has the molecular formula C14H14F4N2S and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID107288871
Molecular FormulaC14H14F4N2S
Molecular Weight318.34 g/mol
Exact Mass318.08
IUPAC Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nc(C)cs1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H14F4N2S/c1-8-7-21-13(20-8)6-12(19-2)9-3-4-10(11(15)5-9)14(16,17)18/h3-5,7,12,19H,6H2,1-2H3
InChIKeyRQEMWZCOCDLQRS-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 107994603
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 62797395
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 62796362
1-(3-bromo-4-chlorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 113337124
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104686
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 62796188
[2-(4-methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105193895
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine
CID 105019303
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-thiophen-2-ylethanamine
CID 62795850
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 82769305
1-(2-methoxypyrimidin-5-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 112747522
1-(3,4-difluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 82923060

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 107288871) is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is CNC(Cc1nc(C)cs1)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is RQEMWZCOCDLQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N2S/c1-8-7-21-13(20-8)6-12(19-2)9-3-4-10(11(15)5-9)14(16,17)18/h3-5,7,12,19H,6H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 318.34 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 107288871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).