2-[4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide

C14H19FN4O4S2 — CID 143108167

IUPAC2-[4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide
SMILESC/C=C(\C=C(/C)F)S(=O)(=O)N1CCN(c2ncc(C(=O)NO)s2)CC1
InChIInChI=1S/C14H19FN4O4S2/c1-3-11(8-10(2)15)25(22,23)19-6-4-18(5-7-19)14-16-9-12(24-14)13(20)17-21/h3,8-9,21H,4-7H2,1-2H3,(H,17,20)/b10-8+,11-3+
InChIKeyWGUPSVJPNGMGPP-LZQNVLJHSA-N
MW390.46 g/mol
LogP1.49
Rot. Bonds5

About 2-[4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide

2-[4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide (PubChem CID 143108167) has the molecular formula C14H19FN4O4S2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-[4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide
PubChem CID143108167
Molecular FormulaC14H19FN4O4S2
Molecular Weight390.46 g/mol
Exact Mass390.08
IUPAC Name2-[4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide
SMILESC/C=C(\C=C(/C)F)S(=O)(=O)N1CCN(c2ncc(C(=O)NO)s2)CC1
InChIInChI=1S/C14H19FN4O4S2/c1-3-11(8-10(2)15)25(22,23)19-6-4-18(5-7-19)14-16-9-12(24-14)13(20)17-21/h3,8-9,21H,4-7H2,1-2H3,(H,17,20)/b10-8+,11-3+
InChIKeyWGUPSVJPNGMGPP-LZQNVLJHSA-N
XLogP1.49
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.49
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide (CID 143108167) is 2-[4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide is C/C=C(\C=C(/C)F)S(=O)(=O)N1CCN(c2ncc(C(=O)NO)s2)CC1.
What is the InChIKey of 2-[4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide?
The InChIKey is WGUPSVJPNGMGPP-LZQNVLJHSA-N. The full InChI is InChI=1S/C14H19FN4O4S2/c1-3-11(8-10(2)15)25(22,23)19-6-4-18(5-7-19)14-16-9-12(24-14)13(20)17-21/h3,8-9,21H,4-7H2,1-2H3,(H,17,20)/b10-8+,11-3+.
What are the key properties of 2-[4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide?
2-[4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 143108167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).