2-(4-tert-butylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-4-carboxamide

C12H20N4O2S — CID 146633592

IUPAC2-(4-tert-butylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)N1CCN(c2nc(C(=O)NO)cs2)CC1
InChIInChI=1S/C12H20N4O2S/c1-12(2,3)16-6-4-15(5-7-16)11-13-9(8-19-11)10(17)14-18/h8,18H,4-7H2,1-3H3,(H,14,17)
InChIKeyBJVHAKFCFCKSIP-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.18
Rot. Bonds2

About 2-(4-tert-butylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-4-carboxamide

2-(4-tert-butylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-4-carboxamide (PubChem CID 146633592) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-tert-butylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-4-carboxamide
PubChem CID146633592
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-(4-tert-butylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)N1CCN(c2nc(C(=O)NO)cs2)CC1
InChIInChI=1S/C12H20N4O2S/c1-12(2,3)16-6-4-15(5-7-16)11-13-9(8-19-11)10(17)14-18/h8,18H,4-7H2,1-3H3,(H,14,17)
InChIKeyBJVHAKFCFCKSIP-UHFFFAOYSA-N
XLogP1.18
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.18
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-tert-butylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-4-carboxamide (CID 146633592) is 2-(4-tert-butylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-tert-butylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-tert-butylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-4-carboxamide is CC(C)(C)N1CCN(c2nc(C(=O)NO)cs2)CC1.
What is the InChIKey of 2-(4-tert-butylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-4-carboxamide?
The InChIKey is BJVHAKFCFCKSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-12(2,3)16-6-4-15(5-7-16)11-13-9(8-19-11)10(17)14-18/h8,18H,4-7H2,1-3H3,(H,14,17).
What are the key properties of 2-(4-tert-butylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-4-carboxamide?
2-(4-tert-butylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-4-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 146633592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).