1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide

C15H17F3N4O4S2 — CID 78863613

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C15H17F3N4O4S2/c1-8-12(9(2)26-21-8)28(24,25)22-5-3-4-10(6-22)13(23)20-14-19-11(7-27-14)15(16,17)18/h7,10H,3-6H2,1-2H3,(H,19,20,23)
InChIKeyFZNKNKFEMYCEQM-UHFFFAOYSA-N
MW438.45 g/mol
LogP2.81
Rot. Bonds4

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide (PubChem CID 78863613) has the molecular formula C15H17F3N4O4S2 and a molecular weight of 438.45 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
PubChem CID78863613
Molecular FormulaC15H17F3N4O4S2
Molecular Weight438.45 g/mol
Exact Mass438.06
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C15H17F3N4O4S2/c1-8-12(9(2)26-21-8)28(24,25)22-5-3-4-10(6-22)13(23)20-14-19-11(7-27-14)15(16,17)18/h7,10H,3-6H2,1-2H3,(H,19,20,23)
InChIKeyFZNKNKFEMYCEQM-UHFFFAOYSA-N
XLogP2.81
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide (CID 78863613) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2nc(C(F)(F)F)cs2)C1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide?
The InChIKey is FZNKNKFEMYCEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O4S2/c1-8-12(9(2)26-21-8)28(24,25)22-5-3-4-10(6-22)13(23)20-14-19-11(7-27-14)15(16,17)18/h7,10H,3-6H2,1-2H3,(H,19,20,23).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 438.45 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 78863613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).