[4-(3-chlorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]methanone

C21H18ClF3N4O2S — CID 16955185

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(Nc2ccc(OC(F)(F)F)cc2)n1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H18ClF3N4O2S/c22-14-2-1-3-16(12-14)28-8-10-29(11-9-28)19(30)18-13-32-20(27-18)26-15-4-6-17(7-5-15)31-21(23,24)25/h1-7,12-13H,8-11H2,(H,26,27)
InChIKeyMTAIILOQLUDOGA-UHFFFAOYSA-N
MW482.92 g/mol
LogP5.40
Rot. Bonds5

About [4-(3-chlorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]methanone

[4-(3-chlorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]methanone (PubChem CID 16955185) has the molecular formula C21H18ClF3N4O2S and a molecular weight of 482.92 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]methanone
PubChem CID16955185
Molecular FormulaC21H18ClF3N4O2S
Molecular Weight482.92 g/mol
Exact Mass482.08
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(Nc2ccc(OC(F)(F)F)cc2)n1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H18ClF3N4O2S/c22-14-2-1-3-16(12-14)28-8-10-29(11-9-28)19(30)18-13-32-20(27-18)26-15-4-6-17(7-5-15)31-21(23,24)25/h1-7,12-13H,8-11H2,(H,26,27)
InChIKeyMTAIILOQLUDOGA-UHFFFAOYSA-N
XLogP5.40
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.92
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(3-chlorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]methanone 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-(3-chlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone
CID 90509751
(3,5-dimethylpiperidin-1-yl)-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]methanone
CID 16955179
[4-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 67309841
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]ethanone
CID 30941122
4-chloro-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 16915165
2-[4-[2-(3-chloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 42876933
[2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 53161120
[4-(3-methoxyphenyl)piperazin-1-yl]-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone
CID 90510093
1-(4-fluorophenyl)-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]urea
CID 16821081
N-(5-chloro-2-methoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955295
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]methanone
CID 90510328
(4-anilino-2-pyridinyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109216106

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]methanone (CID 16955185) is [4-(3-chlorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]methanone is O=C(c1csc(Nc2ccc(OC(F)(F)F)cc2)n1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]methanone?
The InChIKey is MTAIILOQLUDOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF3N4O2S/c22-14-2-1-3-16(12-14)28-8-10-29(11-9-28)19(30)18-13-32-20(27-18)26-15-4-6-17(7-5-15)31-21(23,24)25/h1-7,12-13H,8-11H2,(H,26,27).
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]methanone has a molecular weight of 482.92 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 16955185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).