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

C16H17F4N3OS — CID 130253890

IUPAC4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(3S)-3-methoxypiperidin-1-yl]-1,3-thiazol-2-amine
SMILESCO[C@H]1CCCN(c2sc(N)nc2-c2cc(F)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H17F4N3OS/c1-24-12-3-2-4-23(8-12)14-13(22-15(21)25-14)9-5-10(16(18,19)20)7-11(17)6-9/h5-7,12H,2-4,8H2,1H3,(H2,21,22)/t12-/m0/s1
InChIKeyRCZKJDPCZYPJKT-LBPRGKRZSA-N
MW375.39 g/mol
LogP4.17
Rot. Bonds3

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

4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(3S)-3-methoxypiperidin-1-yl]-1,3-thiazol-2-amine (PubChem CID 130253890) 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-[(3S)-3-methoxypiperidin-1-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(3S)-3-methoxypiperidin-1-yl]-1,3-thiazol-2-amine
PubChem CID130253890
Molecular FormulaC16H17F4N3OS
Molecular Weight375.39 g/mol
Exact Mass375.10
IUPAC Name4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(3S)-3-methoxypiperidin-1-yl]-1,3-thiazol-2-amine
SMILESCO[C@H]1CCCN(c2sc(N)nc2-c2cc(F)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H17F4N3OS/c1-24-12-3-2-4-23(8-12)14-13(22-15(21)25-14)9-5-10(16(18,19)20)7-11(17)6-9/h5-7,12H,2-4,8H2,1H3,(H2,21,22)/t12-/m0/s1
InChIKeyRCZKJDPCZYPJKT-LBPRGKRZSA-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

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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
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-morpholin-4-yl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 88892858
N-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 91426210
4-[4-Chloro-3-(trifluoromethyl)phenyl]-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 118619649
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
4-[4-Chloro-3-(trifluoromethyl)phenyl]-5-(4-methoxypiperidin-1-yl)-1,3-thiazol-2-amine
CID 118909342
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

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(3S)-3-methoxypiperidin-1-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(3S)-3-methoxypiperidin-1-yl]-1,3-thiazol-2-amine (CID 130253890) is 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(3S)-3-methoxypiperidin-1-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(3S)-3-methoxypiperidin-1-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(3S)-3-methoxypiperidin-1-yl]-1,3-thiazol-2-amine is CO[C@H]1CCCN(c2sc(N)nc2-c2cc(F)cc(C(F)(F)F)c2)C1.
What is the InChIKey of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(3S)-3-methoxypiperidin-1-yl]-1,3-thiazol-2-amine?
The InChIKey is RCZKJDPCZYPJKT-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17F4N3OS/c1-24-12-3-2-4-23(8-12)14-13(22-15(21)25-14)9-5-10(16(18,19)20)7-11(17)6-9/h5-7,12H,2-4,8H2,1H3,(H2,21,22)/t12-/m0/s1.
What are the key properties of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(3S)-3-methoxypiperidin-1-yl]-1,3-thiazol-2-amine?
4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(3S)-3-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-[(3S)-3-methoxypiperidin-1-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 130253890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).