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

C16H17F4N3OS — CID 118909333

IUPAC4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-(4-methoxypiperidin-1-yl)-1,3-thiazol-2-amine
SMILESCOC1CCN(c2sc(N)nc2-c2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H17F4N3OS/c1-24-12-2-4-23(5-3-12)14-13(22-15(21)25-14)9-6-10(16(18,19)20)8-11(17)7-9/h6-8,12H,2-5H2,1H3,(H2,21,22)
InChIKeyFFQQFUAVTZWNEF-UHFFFAOYSA-N
MW375.39 g/mol
LogP4.17
Rot. Bonds3

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

4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-(4-methoxypiperidin-1-yl)-1,3-thiazol-2-amine (PubChem CID 118909333) has the molecular formula C16H17F4N3OS and a molecular weight of 375.39 g/mol. Its IUPAC name is 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-(4-methoxypiperidin-1-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-(4-methoxypiperidin-1-yl)-1,3-thiazol-2-amine
PubChem CID118909333
Molecular FormulaC16H17F4N3OS
Molecular Weight375.39 g/mol
Exact Mass375.10
IUPAC Name4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-(4-methoxypiperidin-1-yl)-1,3-thiazol-2-amine
SMILESCOC1CCN(c2sc(N)nc2-c2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H17F4N3OS/c1-24-12-2-4-23(5-3-12)14-13(22-15(21)25-14)9-6-10(16(18,19)20)8-11(17)7-9/h6-8,12H,2-5H2,1H3,(H2,21,22)
InChIKeyFFQQFUAVTZWNEF-UHFFFAOYSA-N
XLogP4.17
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-(4-methoxypiperidin-1-yl)-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-Morpholinyl)-4-phenyl-2-thiazolamine
CID 17861411
4-(4-Fluorophenyl)-5-[2-[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-thiazol-2-amine
CID 44213604
4-(4-Fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-thiazol-2-amine
CID 44213605
4-(4-Fluorophenyl)-5-[2-[4-[(2-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-thiazol-2-amine
CID 44213606
5-(4-Cyclohexylpiperazin-1-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 12083695
4-(4-Fluoro-phenyl)-5-morpholin-4-yl-thiazol-2-ylamine
CID 57476895
2-[4-(2-Methoxyethyl)piperazin-1-yl]-5-methyl-4-[4-(1,1,1-trifluorobutan-2-yl)phenyl]-1,3-thiazole
CID 71036766
N-[4-(4-fluorophenyl)-5-piperidin-1-yl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 89406461
N-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 91426210
4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 118630449
4-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 118630538
4-(3-ethyl-5-fluorophenyl)-5-N-methyl-5-N-(2-methylpropyl)-1,3-thiazole-2,5-diamine
CID 118909336

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-(4-methoxypiperidin-1-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-(4-methoxypiperidin-1-yl)-1,3-thiazol-2-amine (CID 118909333) is 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-(4-methoxypiperidin-1-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-(4-methoxypiperidin-1-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-(4-methoxypiperidin-1-yl)-1,3-thiazol-2-amine is COC1CCN(c2sc(N)nc2-c2cc(F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-(4-methoxypiperidin-1-yl)-1,3-thiazol-2-amine?
The InChIKey is FFQQFUAVTZWNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F4N3OS/c1-24-12-2-4-23(5-3-12)14-13(22-15(21)25-14)9-6-10(16(18,19)20)8-11(17)7-9/h6-8,12H,2-5H2,1H3,(H2,21,22).
What are the key properties of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-(4-methoxypiperidin-1-yl)-1,3-thiazol-2-amine?
4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-(4-methoxypiperidin-1-yl)-1,3-thiazol-2-amine has a molecular weight of 375.39 g/mol, XLogP of 4.17, 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-(4-methoxypiperidin-1-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 118909333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).