(2S,3S)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide

C18H20F3N3OS — CID 177213683

IUPAC(2S,3S)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide
SMILESC[C@@H]1NCCC[C@@H]1C(=O)NCc1nc(-c2ccc(C(F)(F)F)cc2)cs1
InChIInChI=1S/C18H20F3N3OS/c1-11-14(3-2-8-22-11)17(25)23-9-16-24-15(10-26-16)12-4-6-13(7-5-12)18(19,20)21/h4-7,10-11,14,22H,2-3,8-9H2,1H3,(H,23,25)/t11-,14-/m0/s1
InChIKeyPNGDNDZYRVDXHN-FZMZJTMJSA-N
MW383.44 g/mol
LogP3.83
Rot. Bonds4

About (2S,3S)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide

(2S,3S)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide (PubChem CID 177213683) has the molecular formula C18H20F3N3OS and a molecular weight of 383.44 g/mol. Its IUPAC name is (2S,3S)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide
PubChem CID177213683
Molecular FormulaC18H20F3N3OS
Molecular Weight383.44 g/mol
Exact Mass383.13
IUPAC Name(2S,3S)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide
SMILESC[C@@H]1NCCC[C@@H]1C(=O)NCc1nc(-c2ccc(C(F)(F)F)cc2)cs1
InChIInChI=1S/C18H20F3N3OS/c1-11-14(3-2-8-22-11)17(25)23-9-16-24-15(10-26-16)12-4-6-13(7-5-12)18(19,20)21/h4-7,10-11,14,22H,2-3,8-9H2,1H3,(H,23,25)/t11-,14-/m0/s1
InChIKeyPNGDNDZYRVDXHN-FZMZJTMJSA-N
XLogP3.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide
CID 177213534
1-[1-(2-aminoethyl)triazole-4-carbonyl]-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide
CID 177213647
3-hydroxy-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide
CID 177213711
tert-butyl N-[(1R)-1-(4-fluorophenyl)-2-[2-[(2S,3S)-2-methyl-3-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methylcarbamoyl]piperidin-1-yl]-2-oxoethoxy]ethyl]carbamate
CID 177213729
N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidine-2-carboxamide
CID 119338414
N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110318230
(2S,3S)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-methyl-1-(1H-1,2,4-triazole-5-carbonyl)piperidine-3-carboxamide
CID 177213680
cis-(1S,2R)-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 95756886
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110393700
(2S,3S)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]acetyl]-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpiperidine-3-carboxamide
CID 177213878
(2S,3S)-1-[2-(2-fluoroethoxy)acetyl]-2-methyl-N-[[4-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide
CID 177213448
N-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]methyl]cyclohexanecarboxamide
CID 110393760

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of (2S,3S)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide (CID 177213683) is (2S,3S)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (2S,3S)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide is C[C@@H]1NCCC[C@@H]1C(=O)NCc1nc(-c2ccc(C(F)(F)F)cc2)cs1.
What is the InChIKey of (2S,3S)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide?
The InChIKey is PNGDNDZYRVDXHN-FZMZJTMJSA-N. The full InChI is InChI=1S/C18H20F3N3OS/c1-11-14(3-2-8-22-11)17(25)23-9-16-24-15(10-26-16)12-4-6-13(7-5-12)18(19,20)21/h4-7,10-11,14,22H,2-3,8-9H2,1H3,(H,23,25)/t11-,14-/m0/s1.
What are the key properties of (2S,3S)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide?
(2S,3S)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide has a molecular weight of 383.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 177213683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).