2-tert-butyl-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide

C14H20F3N3O3S2 — CID 126776458

IUPAC2-tert-butyl-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)s1
InChIInChI=1S/C14H20F3N3O3S2/c1-13(2,3)12-18-8-10(24-12)11(21)19-9-4-6-20(7-5-9)25(22,23)14(15,16)17/h8-9H,4-7H2,1-3H3,(H,19,21)
InChIKeyTZJASVADSHZVLT-UHFFFAOYSA-N
MW399.46 g/mol
LogP2.48
Rot. Bonds3

About 2-tert-butyl-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide

2-tert-butyl-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 126776458) has the molecular formula C14H20F3N3O3S2 and a molecular weight of 399.46 g/mol. Its IUPAC name is 2-tert-butyl-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID126776458
Molecular FormulaC14H20F3N3O3S2
Molecular Weight399.46 g/mol
Exact Mass399.09
IUPAC Name2-tert-butyl-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)s1
InChIInChI=1S/C14H20F3N3O3S2/c1-13(2,3)12-18-8-10(24-12)11(21)19-9-4-6-20(7-5-9)25(22,23)14(15,16)17/h8-9H,4-7H2,1-3H3,(H,19,21)
InChIKeyTZJASVADSHZVLT-UHFFFAOYSA-N
XLogP2.48
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-N-[2-(methanesulfonamido)ethyl]-1,3-thiazole-5-carboxamide
CID 47404403
2-tert-butyl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide
CID 47925770
2-[1-(Dimethylsulfamoyl)-3-methylpiperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 110100896
2-[1-(Dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 118740138
2-propyl-N-(2-sulfamoylpropyl)-1,3-thiazole-5-carboxamide
CID 75396908
2-ethyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 48591877
2-tert-butyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 56070525
2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120810578
2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 120810579
2-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120812250
2-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 120812251
2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 120812400

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide (CID 126776458) is 2-tert-butyl-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide is CC(C)(C)c1ncc(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)s1.
What is the InChIKey of 2-tert-butyl-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is TZJASVADSHZVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O3S2/c1-13(2,3)12-18-8-10(24-12)11(21)19-9-4-6-20(7-5-9)25(22,23)14(15,16)17/h8-9H,4-7H2,1-3H3,(H,19,21).
What are the key properties of 2-tert-butyl-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 399.46 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126776458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).