N-[[2-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine

C14H14F4N2S — CID 107932029

IUPACN-[[2-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2cc(C)ccc2F)nc1C(F)(F)F
InChIInChI=1S/C14H14F4N2S/c1-3-19-7-11-12(14(16,17)18)20-13(21-11)9-6-8(2)4-5-10(9)15/h4-6,19H,3,7H2,1-2H3
InChIKeyXLMZXTVUCZQSNA-UHFFFAOYSA-N
MW318.34 g/mol
LogP4.39
Rot. Bonds4

About N-[[2-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 107932029) has the molecular formula C14H14F4N2S and a molecular weight of 318.34 g/mol. Its IUPAC name is N-[[2-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID107932029
Molecular FormulaC14H14F4N2S
Molecular Weight318.34 g/mol
Exact Mass318.08
IUPAC NameN-[[2-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2cc(C)ccc2F)nc1C(F)(F)F
InChIInChI=1S/C14H14F4N2S/c1-3-19-7-11-12(14(16,17)18)20-13(21-11)9-6-8(2)4-5-10(9)15/h4-6,19H,3,7H2,1-2H3
InChIKeyXLMZXTVUCZQSNA-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-fluoro-5-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107932057
N-[[2-(2-bromo-6-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114887785
1-[4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 107932020
N-[[2-(2,5-difluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841371
N-[[2-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114895360
[4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine
CID 107932019
N-[[4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107932024
N-[[4-ethyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 113459625
N-[[2-(2-fluoro-5-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 107932011
4-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-3-fluorophenol
CID 136889740
N-[[4-tert-butyl-2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362661
N-[[2-(2-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114015458

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 107932029) is N-[[2-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(-c2cc(C)ccc2F)nc1C(F)(F)F.
What is the InChIKey of N-[[2-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is XLMZXTVUCZQSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N2S/c1-3-19-7-11-12(14(16,17)18)20-13(21-11)9-6-8(2)4-5-10(9)15/h4-6,19H,3,7H2,1-2H3.
What are the key properties of N-[[2-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 318.34 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 107932029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).