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

C9H14N4O2S — CID 11572286

IUPACN-hydroxy-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCN1CCN(c2ncc(C(=O)NO)s2)CC1
InChIInChI=1S/C9H14N4O2S/c1-12-2-4-13(5-3-12)9-10-6-7(16-9)8(14)11-15/h6,15H,2-5H2,1H3,(H,11,14)
InChIKeyVGEMTTAUJZRGRU-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.01
Rot. Bonds2

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

N-hydroxy-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 11572286) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is N-hydroxy-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
PubChem CID11572286
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC NameN-hydroxy-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCN1CCN(c2ncc(C(=O)NO)s2)CC1
InChIInChI=1S/C9H14N4O2S/c1-12-2-4-13(5-3-12)9-10-6-7(16-9)8(14)11-15/h6,15H,2-5H2,1H3,(H,11,14)
InChIKeyVGEMTTAUJZRGRU-UHFFFAOYSA-N
XLogP0.01
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.01
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 N-hydroxy-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (CID 11572286) is N-hydroxy-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is CN1CCN(c2ncc(C(=O)NO)s2)CC1.
What is the InChIKey of N-hydroxy-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is VGEMTTAUJZRGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-12-2-4-13(5-3-12)9-10-6-7(16-9)8(14)11-15/h6,15H,2-5H2,1H3,(H,11,14).
What are the key properties of N-hydroxy-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
N-hydroxy-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 242.30 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11572286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).