(3-aminopiperidin-1-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]methanone

C17H18F3N3OS — CID 138050782

IUPAC(3-aminopiperidin-1-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]methanone
SMILESNC1CCCN(C(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)C1
InChIInChI=1S/C17H18F3N3OS/c18-17(19,20)12-4-1-3-11(7-12)8-15-22-14(10-25-15)16(24)23-6-2-5-13(21)9-23/h1,3-4,7,10,13H,2,5-6,8-9,21H2
InChIKeyCVZYHWZKAICJBR-UHFFFAOYSA-N
MW369.41 g/mol
LogP3.32
Rot. Bonds3

About (3-aminopiperidin-1-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]methanone

(3-aminopiperidin-1-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]methanone (PubChem CID 138050782) has the molecular formula C17H18F3N3OS and a molecular weight of 369.41 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]methanone
PubChem CID138050782
Molecular FormulaC17H18F3N3OS
Molecular Weight369.41 g/mol
Exact Mass369.11
IUPAC Name(3-aminopiperidin-1-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]methanone
SMILESNC1CCCN(C(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)C1
InChIInChI=1S/C17H18F3N3OS/c18-17(19,20)12-4-1-3-11(7-12)8-15-22-14(10-25-15)16(24)23-6-2-5-13(21)9-23/h1,3-4,7,10,13H,2,5-6,8-9,21H2
InChIKeyCVZYHWZKAICJBR-UHFFFAOYSA-N
XLogP3.32
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
CID 119410019
pyridin-2-yl-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56863219
2-amino-2-methyl-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 95545428
[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 110021460
[3-(1-aminoethyl)piperidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
CID 119593496
N-[[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 166291810
(2R)-1-[(3R)-3-aminopiperidin-1-yl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 124593410
2-amino-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
CID 95550375
(3-aminopiperidin-1-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 119381129
3-[(3R)-1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124702022
(2-hydroxyphenyl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95553574
(3R)-1-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 99623059

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]methanone (CID 138050782) is (3-aminopiperidin-1-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]methanone is NC1CCCN(C(=O)c2csc(Cc3cccc(C(F)(F)F)c3)n2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]methanone?
The InChIKey is CVZYHWZKAICJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3OS/c18-17(19,20)12-4-1-3-11(7-12)8-15-22-14(10-25-15)16(24)23-6-2-5-13(21)9-23/h1,3-4,7,10,13H,2,5-6,8-9,21H2.
What are the key properties of (3-aminopiperidin-1-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]methanone?
(3-aminopiperidin-1-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]methanone has a molecular weight of 369.41 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 138050782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).