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

C12H20N4O4S2 — CID 11439463

IUPAC2-(4-butylsulfonylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide
SMILESCCCCS(=O)(=O)N1CCN(c2ncc(C(=O)NO)s2)CC1
InChIInChI=1S/C12H20N4O4S2/c1-2-3-8-22(19,20)16-6-4-15(5-7-16)12-13-9-10(21-12)11(17)14-18/h9,18H,2-8H2,1H3,(H,14,17)
InChIKeyBSIWYFYMUGNSEV-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.51
Rot. Bonds6

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

2-(4-butylsulfonylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide (PubChem CID 11439463) has the molecular formula C12H20N4O4S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(4-butylsulfonylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-butylsulfonylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide
PubChem CID11439463
Molecular FormulaC12H20N4O4S2
Molecular Weight348.45 g/mol
Exact Mass348.09
IUPAC Name2-(4-butylsulfonylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide
SMILESCCCCS(=O)(=O)N1CCN(c2ncc(C(=O)NO)s2)CC1
InChIInChI=1S/C12H20N4O4S2/c1-2-3-8-22(19,20)16-6-4-15(5-7-16)12-13-9-10(21-12)11(17)14-18/h9,18H,2-8H2,1H3,(H,14,17)
InChIKeyBSIWYFYMUGNSEV-UHFFFAOYSA-N
XLogP0.51
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.51
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'}

Analyze 2-(4-butylsulfonylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylsulfonylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-butylsulfonylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide (CID 11439463) is 2-(4-butylsulfonylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-butylsulfonylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-butylsulfonylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide is CCCCS(=O)(=O)N1CCN(c2ncc(C(=O)NO)s2)CC1.
What is the InChIKey of 2-(4-butylsulfonylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide?
The InChIKey is BSIWYFYMUGNSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S2/c1-2-3-8-22(19,20)16-6-4-15(5-7-16)12-13-9-10(21-12)11(17)14-18/h9,18H,2-8H2,1H3,(H,14,17).
What are the key properties of 2-(4-butylsulfonylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide?
2-(4-butylsulfonylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylsulfonylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11439463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).