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

C15H17F4N3OS — CID 129016342

IUPAC4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCOCCN(C)Cc1sc(N)nc1-c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H17F4N3OS/c1-22(3-4-23-2)8-12-13(21-14(20)24-12)9-5-10(15(17,18)19)7-11(16)6-9/h5-7H,3-4,8H2,1-2H3,(H2,20,21)
InChIKeyRMWXDXIQELXBSU-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.63
Rot. Bonds6

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

4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 129016342) has the molecular formula C15H17F4N3OS and a molecular weight of 363.38 g/mol. Its IUPAC name is 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID129016342
Molecular FormulaC15H17F4N3OS
Molecular Weight363.38 g/mol
Exact Mass363.10
IUPAC Name4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCOCCN(C)Cc1sc(N)nc1-c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H17F4N3OS/c1-22(3-4-23-2)8-12-13(21-14(20)24-12)9-5-10(15(17,18)19)7-11(16)6-9/h5-7H,3-4,8H2,1-2H3,(H2,20,21)
InChIKeyRMWXDXIQELXBSU-UHFFFAOYSA-N
XLogP3.63
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-[4-Fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-2-amine
CID 44449844
4-[2-Fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-2-amine
CID 44449872
4-(3,4-Difluorophenyl)-5-methyl-1,3-thiazol-2-amine
CID 674091
4-(5-Methyl-4-phenyl-1,3-thiazol-2-yl)morpholine
CID 55355450
4-(5-Ethyl-4-phenyl-1,3-thiazol-2-yl)morpholine
CID 71902847
4-[4-[4-(2-Fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-yl]morpholine
CID 2741194
5-(4-Morpholinyl)-4-phenyl-2-thiazolamine
CID 17861411
4-(3,4-difluorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine
CID 2511053
4-(3,4-difluorophenyl)-N-(1-methoxypropan-2-yl)-5-methyl-1,3-thiazol-2-amine
CID 16317730
5-[2-(Dihexylamino)ethyl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 15818780
Ethyl 3-[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]pyrrolidine-1-carboxylate
CID 17760349
5-[[bis(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 18672250

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-amine (CID 129016342) is 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-amine is COCCN(C)Cc1sc(N)nc1-c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is RMWXDXIQELXBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4N3OS/c1-22(3-4-23-2)8-12-13(21-14(20)24-12)9-5-10(15(17,18)19)7-11(16)6-9/h5-7H,3-4,8H2,1-2H3,(H2,20,21).
What are the key properties of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-amine?
4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 363.38 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 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-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 129016342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).