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

C15H18N4O2S — CID 11631108

IUPAC2-(4-benzylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C15H18N4O2S/c20-14(17-21)13-10-16-15(22-13)19-8-6-18(7-9-19)11-12-4-2-1-3-5-12/h1-5,10,21H,6-9,11H2,(H,17,20)
InChIKeyHGKGJEZYUNSVHC-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.58
Rot. Bonds4

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

2-(4-benzylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide (PubChem CID 11631108) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide
PubChem CID11631108
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C15H18N4O2S/c20-14(17-21)13-10-16-15(22-13)19-8-6-18(7-9-19)11-12-4-2-1-3-5-12/h1-5,10,21H,6-9,11H2,(H,17,20)
InChIKeyHGKGJEZYUNSVHC-UHFFFAOYSA-N
XLogP1.58
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.58
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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Related Compounds

methyl 2-(4-benzylpiperazin-1-yl)-1,3-thiazole-5-carboxylate
CID 69197930
N-(1-benzylpiperidin-4-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 117088638
N-hydroxy-2-[4-[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide;hydrochloride
CID 157389142
2-(4-benzylsulfonylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 90969521
N-(1-benzylpiperidin-4-yl)-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 117089997
2-[5-(4-benzylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-N-cyclopentylacetamide
CID 58430836
2-[(1-benzylpiperidin-4-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide
CID 117087880
2-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide
CID 166021942
N-hydroxy-2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide
CID 11178108
6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 109159539
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-(4-benzylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 18536294

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide (CID 11631108) is 2-(4-benzylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide is O=C(NO)c1cnc(N2CCN(Cc3ccccc3)CC2)s1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide?
The InChIKey is HGKGJEZYUNSVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c20-14(17-21)13-10-16-15(22-13)19-8-6-18(7-9-19)11-12-4-2-1-3-5-12/h1-5,10,21H,6-9,11H2,(H,17,20).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide?
2-(4-benzylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11631108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).