N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide

C15H15F3N4O4S2 — CID 11487392

IUPACN-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)s1
InChIInChI=1S/C15H15F3N4O4S2/c16-15(17,18)10-1-3-11(4-2-10)28(25,26)22-7-5-21(6-8-22)14-19-9-12(27-14)13(23)20-24/h1-4,9,24H,5-8H2,(H,20,23)
InChIKeyKPDDJYNSRQPTKP-UHFFFAOYSA-N
MW436.44 g/mol
LogP1.79
Rot. Bonds4

About N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide

N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 11487392) has the molecular formula C15H15F3N4O4S2 and a molecular weight of 436.44 g/mol. Its IUPAC name is N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID11487392
Molecular FormulaC15H15F3N4O4S2
Molecular Weight436.44 g/mol
Exact Mass436.05
IUPAC NameN-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)s1
InChIInChI=1S/C15H15F3N4O4S2/c16-15(17,18)10-1-3-11(4-2-10)28(25,26)22-7-5-21(6-8-22)14-19-9-12(27-14)13(23)20-24/h1-4,9,24H,5-8H2,(H,20,23)
InChIKeyKPDDJYNSRQPTKP-UHFFFAOYSA-N
XLogP1.79
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide (CID 11487392) is N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide is O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)s1.
What is the InChIKey of N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is KPDDJYNSRQPTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O4S2/c16-15(17,18)10-1-3-11(4-2-10)28(25,26)22-7-5-21(6-8-22)14-19-9-12(27-14)13(23)20-24/h1-4,9,24H,5-8H2,(H,20,23).
What are the key properties of N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide?
N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 436.44 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11487392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).