4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine

C14H15F4N3OS — CID 138638587

IUPAC4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N)nc1-c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H15F4N3OS/c1-22-3-2-20-7-11-12(21-13(19)23-11)8-4-9(14(16,17)18)6-10(15)5-8/h4-6,20H,2-3,7H2,1H3,(H2,19,21)
InChIKeyUQWMETVZMSQDLO-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.29
Rot. Bonds6

About 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine

4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 138638587) has the molecular formula C14H15F4N3OS and a molecular weight of 349.35 g/mol. Its IUPAC name is 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
PubChem CID138638587
Molecular FormulaC14H15F4N3OS
Molecular Weight349.35 g/mol
Exact Mass349.09
IUPAC Name4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N)nc1-c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H15F4N3OS/c1-22-3-2-20-7-11-12(21-13(19)23-11)8-4-9(14(16,17)18)6-10(15)5-8/h4-6,20H,2-3,7H2,1H3,(H2,19,21)
InChIKeyUQWMETVZMSQDLO-UHFFFAOYSA-N
XLogP3.29
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-N,5-N-bis(2-methoxyethyl)-1,3-thiazole-2,5-diamine
CID 130254296
4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-1,3-thiazole-2,5-diamine
CID 131999375
5-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 126741263
5-[(2-ethylpyrrolidin-1-yl)methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 129016603
methyl 2-amino-5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 106510147
5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 118636375
5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 129016513
methyl 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 115350310
N-[[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
CID 63757605
O-methyl 4-[4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-methylthiophene-2-carbothioate
CID 86758670
N-[5-[[ethyl(methyl)amino]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 131996935
4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 96656461

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine (CID 138638587) is 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine is COCCNCc1sc(N)nc1-c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is UQWMETVZMSQDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4N3OS/c1-22-3-2-20-7-11-12(21-13(19)23-11)8-4-9(14(16,17)18)6-10(15)5-8/h4-6,20H,2-3,7H2,1H3,(H2,19,21).
What are the key properties of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine?
4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 349.35 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 138638587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).