4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one

C21H19F3N4OS — CID 163200988

IUPAC4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one
SMILESCc1nc(Nc2cc(C3CC(=O)NC(c4ccccc4C(F)(F)F)C3)ccn2)cs1
InChIInChI=1S/C21H19F3N4OS/c1-12-26-19(11-30-12)28-18-9-13(6-7-25-18)14-8-17(27-20(29)10-14)15-4-2-3-5-16(15)21(22,23)24/h2-7,9,11,14,17H,8,10H2,1H3,(H,25,28)(H,27,29)
InChIKeyIABBGNLJULJDAI-UHFFFAOYSA-N
MW432.47 g/mol
LogP5.34
Rot. Bonds4

About 4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one

4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one (PubChem CID 163200988) has the molecular formula C21H19F3N4OS and a molecular weight of 432.47 g/mol. Its IUPAC name is 4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one.

Molecular Properties

Compound Name4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one
PubChem CID163200988
Molecular FormulaC21H19F3N4OS
Molecular Weight432.47 g/mol
Exact Mass432.12
IUPAC Name4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one
SMILESCc1nc(Nc2cc(C3CC(=O)NC(c4ccccc4C(F)(F)F)C3)ccn2)cs1
InChIInChI=1S/C21H19F3N4OS/c1-12-26-19(11-30-12)28-18-9-13(6-7-25-18)14-8-17(27-20(29)10-14)15-4-2-3-5-16(15)21(22,23)24/h2-7,9,11,14,17H,8,10H2,1H3,(H,25,28)(H,27,29)
InChIKeyIABBGNLJULJDAI-UHFFFAOYSA-N
XLogP5.34
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.47
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one with MolForge

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Related Compounds

6'-(3-Ethylureido)-4'-(4-(trifluoromethyl)thiazol-2-yl)-3,3'-bipyridine-5-carboxamide
CID 59208340
2-phenyl-1-[(1R,5S)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one
CID 49862239
[(1S,2S)-2-phenylcyclopropyl]-[(1R,5S)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 49862289
N-[4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-YL]-2-pyridyl]cyclohexanecarboxamide
CID 10158193
N-[4-(2-Ethyl-4-m-tolyl-thiazol-5-yl)-pyridin-2-yl]-3-phenyl-propionamide
CID 10274130
N-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-7-(5-fluoro-2-methylphenyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 71115268
2-methyl-3-phenyl-1-[(1R,5S)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]butan-1-one
CID 49862288
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S,6S)-2-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 70681620
[(2S)-5-fluoro-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 70685892
(2-Methyl-4-phenyl-1,3-thiazol-5-yl)-[2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 70696349
N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 71682209
US10251893, Cpd 44
CID 58447874

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one?
The IUPAC name of 4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one (CID 163200988) is 4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one.
What is the SMILES notation for 4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one?
The canonical SMILES for 4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one is Cc1nc(Nc2cc(C3CC(=O)NC(c4ccccc4C(F)(F)F)C3)ccn2)cs1.
What is the InChIKey of 4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one?
The InChIKey is IABBGNLJULJDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4OS/c1-12-26-19(11-30-12)28-18-9-13(6-7-25-18)14-8-17(27-20(29)10-14)15-4-2-3-5-16(15)21(22,23)24/h2-7,9,11,14,17H,8,10H2,1H3,(H,25,28)(H,27,29).
What are the key properties of 4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one?
4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one has a molecular weight of 432.47 g/mol, XLogP of 5.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-methyl-1,3-thiazol-4-yl)amino]-4-pyridinyl]-6-[2-(trifluoromethyl)phenyl]piperidin-2-one is sourced from PubChem (CID 163200988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).