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

C14H13F4N3OS — CID 130253958

IUPAC4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-(3-methoxyazetidin-1-yl)-1,3-thiazol-2-amine
SMILESCOC1CN(c2sc(N)nc2-c2cc(F)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H13F4N3OS/c1-22-10-5-21(6-10)12-11(20-13(19)23-12)7-2-8(14(16,17)18)4-9(15)3-7/h2-4,10H,5-6H2,1H3,(H2,19,20)
InChIKeyRGZLPFDPESAXLQ-UHFFFAOYSA-N
MW347.34 g/mol
LogP3.39
Rot. Bonds3

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

4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-(3-methoxyazetidin-1-yl)-1,3-thiazol-2-amine (PubChem CID 130253958) has the molecular formula C14H13F4N3OS and a molecular weight of 347.34 g/mol. Its IUPAC name is 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-(3-methoxyazetidin-1-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-(3-methoxyazetidin-1-yl)-1,3-thiazol-2-amine
PubChem CID130253958
Molecular FormulaC14H13F4N3OS
Molecular Weight347.34 g/mol
Exact Mass347.07
IUPAC Name4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-(3-methoxyazetidin-1-yl)-1,3-thiazol-2-amine
SMILESCOC1CN(c2sc(N)nc2-c2cc(F)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H13F4N3OS/c1-22-10-5-21(6-10)12-11(20-13(19)23-12)7-2-8(14(16,17)18)4-9(15)3-7/h2-4,10H,5-6H2,1H3,(H2,19,20)
InChIKeyRGZLPFDPESAXLQ-UHFFFAOYSA-N
XLogP3.39
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Morpholinyl)-4-phenyl-2-thiazolamine
CID 17861411
4-(4-Fluoro-phenyl)-5-morpholin-4-yl-thiazol-2-ylamine
CID 57476895
4-[3-Fluoro-5-(trifluoromethyl)phenyl]-5-(4-methoxypiperidin-1-yl)-1,3-thiazol-2-amine
CID 118909333
4-(3-ethyl-5-fluorophenyl)-5-N-methyl-5-N-(2-methylpropyl)-1,3-thiazole-2,5-diamine
CID 118909336
3-[4-[5-Fluoro-6-[[4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-(3-methoxyazetidin-1-yl)-1,3-thiazol-2-yl]amino]-1,2-dihydropyrimidin-4-yl]piperazin-1-yl]propanoic acid
CID 118909350
5-(Diethylaminomethyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 118909469
4-(3-Ethyl-5-fluorophenyl)-5-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazol-2-amine
CID 118909472
4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-N-(2-methoxyethyl)-1,3-thiazole-2,5-diamine
CID 118909505
5-[[Tert-butyl(methyl)amino]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 129016337
4-[3-Fluoro-5-(trifluoromethyl)phenyl]-5-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-amine
CID 129016342
4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3-thiazol-2-amine
CID 129016577
5-[[Ethyl(propan-2-yl)amino]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 130211587

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-(3-methoxyazetidin-1-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-(3-methoxyazetidin-1-yl)-1,3-thiazol-2-amine (CID 130253958) is 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-(3-methoxyazetidin-1-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-(3-methoxyazetidin-1-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-(3-methoxyazetidin-1-yl)-1,3-thiazol-2-amine is COC1CN(c2sc(N)nc2-c2cc(F)cc(C(F)(F)F)c2)C1.
What is the InChIKey of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-(3-methoxyazetidin-1-yl)-1,3-thiazol-2-amine?
The InChIKey is RGZLPFDPESAXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3OS/c1-22-10-5-21(6-10)12-11(20-13(19)23-12)7-2-8(14(16,17)18)4-9(15)3-7/h2-4,10H,5-6H2,1H3,(H2,19,20).
What are the key properties of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-(3-methoxyazetidin-1-yl)-1,3-thiazol-2-amine?
4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-(3-methoxyazetidin-1-yl)-1,3-thiazol-2-amine has a molecular weight of 347.34 g/mol, XLogP of 3.39, 3 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-(3-methoxyazetidin-1-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130253958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).