2-(4-benzoylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide

C15H16N4O3S — CID 11551699

IUPAC2-(4-benzoylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(C(=O)c3ccccc3)CC2)s1
InChIInChI=1S/C15H16N4O3S/c20-13(17-22)12-10-16-15(23-12)19-8-6-18(7-9-19)14(21)11-4-2-1-3-5-11/h1-5,10,22H,6-9H2,(H,17,20)
InChIKeySICOHPOOEVDKFF-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.22
Rot. Bonds3

About 2-(4-benzoylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide

2-(4-benzoylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide (PubChem CID 11551699) has the molecular formula C15H16N4O3S and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide
PubChem CID11551699
Molecular FormulaC15H16N4O3S
Molecular Weight332.38 g/mol
Exact Mass332.09
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(C(=O)c3ccccc3)CC2)s1
InChIInChI=1S/C15H16N4O3S/c20-13(17-22)12-10-16-15(23-12)19-8-6-18(7-9-19)14(21)11-4-2-1-3-5-11/h1-5,10,22H,6-9H2,(H,17,20)
InChIKeySICOHPOOEVDKFF-UHFFFAOYSA-N
XLogP1.22
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-(4-benzoylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide (CID 11551699) is 2-(4-benzoylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide is O=C(NO)c1cnc(N2CCN(C(=O)c3ccccc3)CC2)s1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide?
The InChIKey is SICOHPOOEVDKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c20-13(17-22)12-10-16-15(23-12)19-8-6-18(7-9-19)14(21)11-4-2-1-3-5-11/h1-5,10,22H,6-9H2,(H,17,20).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide?
2-(4-benzoylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11551699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).