1-(2,3-dimethylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone

C18H20F3N3OS — CID 120570378

IUPAC1-(2,3-dimethylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
SMILESCC1NCCN(C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)C1C
InChIInChI=1S/C18H20F3N3OS/c1-11-12(2)24(7-6-22-11)16(25)9-15-10-26-17(23-15)13-4-3-5-14(8-13)18(19,20)21/h3-5,8,10-12,22H,6-7,9H2,1-2H3
InChIKeyUCJVWGIEWNHHIF-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.58
Rot. Bonds3

About 1-(2,3-dimethylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone

1-(2,3-dimethylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone (PubChem CID 120570378) has the molecular formula C18H20F3N3OS and a molecular weight of 383.44 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-(2,3-dimethylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
PubChem CID120570378
Molecular FormulaC18H20F3N3OS
Molecular Weight383.44 g/mol
Exact Mass383.13
IUPAC Name1-(2,3-dimethylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
SMILESCC1NCCN(C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)C1C
InChIInChI=1S/C18H20F3N3OS/c1-11-12(2)24(7-6-22-11)16(25)9-15-10-26-17(23-15)13-4-3-5-14(8-13)18(19,20)21/h3-5,8,10-12,22H,6-7,9H2,1-2H3
InChIKeyUCJVWGIEWNHHIF-UHFFFAOYSA-N
XLogP3.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethylpiperazin-1-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 120572827
N-(2-methylpiperidin-4-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 120599425
1-[2-(aminomethyl)piperidin-1-yl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 119469802
2-(2-tert-butyl-1,3-thiazol-4-yl)-1-(2,3-dimethylpiperazin-1-yl)ethanone;dihydrochloride
CID 120569829
1-(2,3-dimethylpiperazin-1-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 120572802
ethyl 2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 12953395
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 120818924
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-(3-methylpiperazin-1-yl)ethanone;dihydrochloride
CID 119580568
N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120572220
4-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]benzoic acid
CID 53353917
1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 124691937
(2,3-dimethylpiperazin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 120571015

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone (CID 120570378) is 1-(2,3-dimethylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-(2,3-dimethylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-(2,3-dimethylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone is CC1NCCN(C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)C1C.
What is the InChIKey of 1-(2,3-dimethylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone?
The InChIKey is UCJVWGIEWNHHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3OS/c1-11-12(2)24(7-6-22-11)16(25)9-15-10-26-17(23-15)13-4-3-5-14(8-13)18(19,20)21/h3-5,8,10-12,22H,6-7,9H2,1-2H3.
What are the key properties of 1-(2,3-dimethylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone?
1-(2,3-dimethylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 383.44 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 120570378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).