4-(5-fluoro-2-methoxyphenyl)-N-(4-fluorophenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid

C23H22F5N3O3S — CID 44530373

IUPAC4-(5-fluoro-2-methoxyphenyl)-N-(4-fluorophenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(F)cc1-c1csc(N(c2ccc(F)cc2)C2CCNCC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H21F2N3OS.C2HF3O2/c1-27-20-7-4-15(23)12-18(20)19-13-28-21(25-19)26(17-8-10-24-11-9-17)16-5-2-14(22)3-6-16;3-2(4,5)1(6)7/h2-7,12-13,17,24H,8-11H2,1H3;(H,6,7)
InChIKeyJRJCQJWYSMEKAI-UHFFFAOYSA-N
MW515.50 g/mol
LogP5.62
Rot. Bonds5

About 4-(5-fluoro-2-methoxyphenyl)-N-(4-fluorophenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid

4-(5-fluoro-2-methoxyphenyl)-N-(4-fluorophenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 44530373) has the molecular formula C23H22F5N3O3S and a molecular weight of 515.50 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)-N-(4-fluorophenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)-N-(4-fluorophenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
PubChem CID44530373
Molecular FormulaC23H22F5N3O3S
Molecular Weight515.50 g/mol
Exact Mass515.13
IUPAC Name4-(5-fluoro-2-methoxyphenyl)-N-(4-fluorophenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(F)cc1-c1csc(N(c2ccc(F)cc2)C2CCNCC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H21F2N3OS.C2HF3O2/c1-27-20-7-4-15(23)12-18(20)19-13-28-21(25-19)26(17-8-10-24-11-9-17)16-5-2-14(22)3-6-16;3-2(4,5)1(6)7/h2-7,12-13,17,24H,8-11H2,1H3;(H,6,7)
InChIKeyJRJCQJWYSMEKAI-UHFFFAOYSA-N
XLogP5.62
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.50
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(5-fluoro-2-methoxyphenyl)-N-(4-fluorophenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid 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

4-(2,5-dichlorophenyl)-N-(4-methoxyphenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine
CID 44530378
(2R)-2-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
CID 177184063
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide
CID 119046187
(Z)-4,4,4-trifluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylbut-2-enamide
CID 56506988
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethyl-4-fluorobenzamide
CID 1138516
2-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 4619139
[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965875
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 78878975
4-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 8963152
2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide;2,2,2-trifluoroacetic acid
CID 172895401
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 119679962
4-(4-fluoro-2-methoxyphenyl)-2-[(3R)-piperidin-3-yl]-1,3-thiazole
CID 177184061

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-N-(4-fluorophenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-N-(4-fluorophenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid (CID 44530373) is 4-(5-fluoro-2-methoxyphenyl)-N-(4-fluorophenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)-N-(4-fluorophenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)-N-(4-fluorophenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid is COc1ccc(F)cc1-c1csc(N(c2ccc(F)cc2)C2CCNCC2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)-N-(4-fluorophenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is JRJCQJWYSMEKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3OS.C2HF3O2/c1-27-20-7-4-15(23)12-18(20)19-13-28-21(25-19)26(17-8-10-24-11-9-17)16-5-2-14(22)3-6-16;3-2(4,5)1(6)7/h2-7,12-13,17,24H,8-11H2,1H3;(H,6,7).
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)-N-(4-fluorophenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
4-(5-fluoro-2-methoxyphenyl)-N-(4-fluorophenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 515.50 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxyphenyl)-N-(4-fluorophenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 44530373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).