1-(4-methylpiperidin-1-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]ethanone

C18H20F3N3O2S — CID 30940900

IUPAC1-(4-methylpiperidin-1-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]ethanone
SMILESCC1CCN(C(=O)Cc2csc(Nc3ccc(OC(F)(F)F)cc3)n2)CC1
InChIInChI=1S/C18H20F3N3O2S/c1-12-6-8-24(9-7-12)16(25)10-14-11-27-17(23-14)22-13-2-4-15(5-3-13)26-18(19,20)21/h2-5,11-12H,6-10H2,1H3,(H,22,23)
InChIKeyZCGRCPLQXFRVKT-UHFFFAOYSA-N
MW399.44 g/mol
LogP4.59
Rot. Bonds5

About 1-(4-methylpiperidin-1-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]ethanone

1-(4-methylpiperidin-1-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]ethanone (PubChem CID 30940900) has the molecular formula C18H20F3N3O2S and a molecular weight of 399.44 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]ethanone
PubChem CID30940900
Molecular FormulaC18H20F3N3O2S
Molecular Weight399.44 g/mol
Exact Mass399.12
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]ethanone
SMILESCC1CCN(C(=O)Cc2csc(Nc3ccc(OC(F)(F)F)cc3)n2)CC1
InChIInChI=1S/C18H20F3N3O2S/c1-12-6-8-24(9-7-12)16(25)10-14-11-27-17(23-14)22-13-2-4-15(5-3-13)26-18(19,20)21/h2-5,11-12H,6-10H2,1H3,(H,22,23)
InChIKeyZCGRCPLQXFRVKT-UHFFFAOYSA-N
XLogP4.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]ethanone
CID 30940867
(3,5-dimethylpiperidin-1-yl)-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]methanone
CID 16955179
N-(3-acetamidophenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
CID 30941086
2-(2-anilino-1,3-thiazol-4-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 27377709
N-(4-sulfamoylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
CID 30940888
1-[2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 27377791
tert-butyl N-[4-[2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate;ethane
CID 142514731
2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone
CID 59802440
1-pyrrolidin-1-yl-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone
CID 27377781
1-(4-methylpiperidin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]ethanone
CID 78845834
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
CID 30940810
1-(4-fluorophenyl)-3-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea
CID 44922369

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]ethanone (CID 30940900) is 1-(4-methylpiperidin-1-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]ethanone is CC1CCN(C(=O)Cc2csc(Nc3ccc(OC(F)(F)F)cc3)n2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]ethanone?
The InChIKey is ZCGRCPLQXFRVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2S/c1-12-6-8-24(9-7-12)16(25)10-14-11-27-17(23-14)22-13-2-4-15(5-3-13)26-18(19,20)21/h2-5,11-12H,6-10H2,1H3,(H,22,23).
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]ethanone?
1-(4-methylpiperidin-1-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]ethanone has a molecular weight of 399.44 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 30940900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).