(E)-N-hydroxy-3-[2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide

C17H17F3N4O4S2 — CID 11547141

IUPAC(E)-N-hydroxy-3-[2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1cnc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)s1)NO
InChIInChI=1S/C17H17F3N4O4S2/c18-17(19,20)12-1-4-14(5-2-12)30(27,28)24-9-7-23(8-10-24)16-21-11-13(29-16)3-6-15(25)22-26/h1-6,11,26H,7-10H2,(H,22,25)/b6-3+
InChIKeyFCFQGMZCWZKVRG-ZZXKWVIFSA-N
MW462.48 g/mol
LogP2.19
Rot. Bonds5

About (E)-N-hydroxy-3-[2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide

(E)-N-hydroxy-3-[2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide (PubChem CID 11547141) has the molecular formula C17H17F3N4O4S2 and a molecular weight of 462.48 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide
PubChem CID11547141
Molecular FormulaC17H17F3N4O4S2
Molecular Weight462.48 g/mol
Exact Mass462.06
IUPAC Name(E)-N-hydroxy-3-[2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1cnc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)s1)NO
InChIInChI=1S/C17H17F3N4O4S2/c18-17(19,20)12-1-4-14(5-2-12)30(27,28)24-9-7-23(8-10-24)16-21-11-13(29-16)3-6-15(25)22-26/h1-6,11,26H,7-10H2,(H,22,25)/b6-3+
InChIKeyFCFQGMZCWZKVRG-ZZXKWVIFSA-N
XLogP2.19
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 (E)-N-hydroxy-3-[2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide (CID 11547141) is (E)-N-hydroxy-3-[2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide is O=C(/C=C/c1cnc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)s1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide?
The InChIKey is FCFQGMZCWZKVRG-ZZXKWVIFSA-N. The full InChI is InChI=1S/C17H17F3N4O4S2/c18-17(19,20)12-1-4-14(5-2-12)30(27,28)24-9-7-23(8-10-24)16-21-11-13(29-16)3-6-15(25)22-26/h1-6,11,26H,7-10H2,(H,22,25)/b6-3+.
What are the key properties of (E)-N-hydroxy-3-[2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide?
(E)-N-hydroxy-3-[2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide has a molecular weight of 462.48 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide is sourced from PubChem (CID 11547141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).