N-hydroxy-4-[(5-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]benzamide

C14H12N4O2S — CID 171345423

IUPACN-hydroxy-4-[(5-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2ncnc2-c2cccs2)cc1
InChIInChI=1S/C14H12N4O2S/c19-14(17-20)11-5-3-10(4-6-11)8-18-13(15-9-16-18)12-2-1-7-21-12/h1-7,9,20H,8H2,(H,17,19)
InChIKeyAHVTWWQEZJQXBT-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.17
Rot. Bonds4

About N-hydroxy-4-[(5-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]benzamide

N-hydroxy-4-[(5-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]benzamide (PubChem CID 171345423) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-hydroxy-4-[(5-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(5-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]benzamide
PubChem CID171345423
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC NameN-hydroxy-4-[(5-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2ncnc2-c2cccs2)cc1
InChIInChI=1S/C14H12N4O2S/c19-14(17-20)11-5-3-10(4-6-11)8-18-13(15-9-16-18)12-2-1-7-21-12/h1-7,9,20H,8H2,(H,17,19)
InChIKeyAHVTWWQEZJQXBT-UHFFFAOYSA-N
XLogP2.17
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.17
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-4-[(5-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(5-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]benzamide (CID 171345423) is N-hydroxy-4-[(5-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(5-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(5-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]benzamide is O=C(NO)c1ccc(Cn2ncnc2-c2cccs2)cc1.
What is the InChIKey of N-hydroxy-4-[(5-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]benzamide?
The InChIKey is AHVTWWQEZJQXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c19-14(17-20)11-5-3-10(4-6-11)8-18-13(15-9-16-18)12-2-1-7-21-12/h1-7,9,20H,8H2,(H,17,19).
What are the key properties of N-hydroxy-4-[(5-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]benzamide?
N-hydroxy-4-[(5-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]benzamide has a molecular weight of 300.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(5-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]benzamide is sourced from PubChem (CID 171345423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).