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

C18H20F3N3OS — CID 119469802

IUPAC1-[2-(aminomethyl)piperidin-1-yl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
SMILESNCC1CCCCN1C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H20F3N3OS/c19-18(20,21)13-5-3-4-12(8-13)17-23-14(11-26-17)9-16(25)24-7-2-1-6-15(24)10-22/h3-5,8,11,15H,1-2,6-7,9-10,22H2
InChIKeyNFOXWDCDSQOOFA-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.71
Rot. Bonds4

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

1-[2-(aminomethyl)piperidin-1-yl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone (PubChem CID 119469802) has the molecular formula C18H20F3N3OS and a molecular weight of 383.44 g/mol. Its IUPAC name is 1-[2-(aminomethyl)piperidin-1-yl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)piperidin-1-yl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
PubChem CID119469802
Molecular FormulaC18H20F3N3OS
Molecular Weight383.44 g/mol
Exact Mass383.13
IUPAC Name1-[2-(aminomethyl)piperidin-1-yl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
SMILESNCC1CCCCN1C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H20F3N3OS/c19-18(20,21)13-5-3-4-12(8-13)17-23-14(11-26-17)9-16(25)24-7-2-1-6-15(24)10-22/h3-5,8,11,15H,1-2,6-7,9-10,22H2
InChIKeyNFOXWDCDSQOOFA-UHFFFAOYSA-N
XLogP3.71
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(aminomethyl)piperidin-1-yl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone with MolForge

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Related Compounds

1-[2-(aminomethyl)piperidin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 119468149
1-[2-(aminomethyl)piperidin-1-yl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 119468701
[2-(aminomethyl)piperidin-1-yl]-[2-(3-fluorophenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methanone
CID 158330862
1-(2,3-dimethylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 120570378
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 120818924
1-[2-(aminomethyl)piperidin-1-yl]-3-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride
CID 119466508
ethyl 2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 12953395
1-[2-(aminomethyl)piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]sulfanylethanone;hydrochloride
CID 119466567
(2S)-1-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperidine-2-carboxylic acid
CID 129415522
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 119632087
[2-(aminomethyl)piperidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 119467477
1-[4-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one;dihydrochloride
CID 119467711

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone (CID 119469802) is 1-[2-(aminomethyl)piperidin-1-yl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)piperidin-1-yl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(aminomethyl)piperidin-1-yl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone is NCC1CCCCN1C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 1-[2-(aminomethyl)piperidin-1-yl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone?
The InChIKey is NFOXWDCDSQOOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3OS/c19-18(20,21)13-5-3-4-12(8-13)17-23-14(11-26-17)9-16(25)24-7-2-1-6-15(24)10-22/h3-5,8,11,15H,1-2,6-7,9-10,22H2.
What are the key properties of 1-[2-(aminomethyl)piperidin-1-yl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone?
1-[2-(aminomethyl)piperidin-1-yl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 383.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)piperidin-1-yl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 119469802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).