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

C13H11N5O2S — CID 135357843

IUPACN-hydroxy-4-[(5-thiophen-2-yltetrazol-1-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2nnnc2-c2cccs2)cc1
InChIInChI=1S/C13H11N5O2S/c19-13(15-20)10-5-3-9(4-6-10)8-18-12(14-16-17-18)11-2-1-7-21-11/h1-7,20H,8H2,(H,15,19)
InChIKeyUFUGFWWXDWPEQE-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.57
Rot. Bonds4

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

N-hydroxy-4-[(5-thiophen-2-yltetrazol-1-yl)methyl]benzamide (PubChem CID 135357843) has the molecular formula C13H11N5O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is N-hydroxy-4-[(5-thiophen-2-yltetrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(5-thiophen-2-yltetrazol-1-yl)methyl]benzamide
PubChem CID135357843
Molecular FormulaC13H11N5O2S
Molecular Weight301.33 g/mol
Exact Mass301.06
IUPAC NameN-hydroxy-4-[(5-thiophen-2-yltetrazol-1-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2nnnc2-c2cccs2)cc1
InChIInChI=1S/C13H11N5O2S/c19-13(15-20)10-5-3-9(4-6-10)8-18-12(14-16-17-18)11-2-1-7-21-11/h1-7,20H,8H2,(H,15,19)
InChIKeyUFUGFWWXDWPEQE-UHFFFAOYSA-N
XLogP1.57
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.57
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'}

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Related Compounds

3,5-difluoro-N-hydroxy-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]benzamide
CID 135357520
3,5-difluoro-N-hydroxy-4-[(5-thiophen-2-yltetrazol-1-yl)methyl]benzamide
CID 135357552
N-hydroxy-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]benzamide
CID 135357669
N-hydroxy-4-[(5-phenyltetrazol-1-yl)methyl]benzamide
CID 135357870
N'-ethyl-4-[(5-thiophen-2-yltetrazol-1-yl)methyl]benzohydrazide
CID 168284459
N-hydroxy-4-[[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide
CID 46190556
N-hydroxy-4-[(5-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]benzamide
CID 171345423
N-hydroxy-4-[(3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]benzamide
CID 171351805
3,5-difluoro-N-hydroxy-4-[(5-thiophen-2-yltetrazol-2-yl)methyl]benzamide
CID 135357277
3,5-difluoro-N-hydroxy-4-[[5-[3-(pentafluoro-lambda6-sulfanyl)phenyl]tetrazol-1-yl]methyl]benzamide
CID 135357709
N-hydroxy-4-[[5-[3-(pentafluoro-lambda6-sulfanyl)phenyl]tetrazol-1-yl]methyl]benzamide
CID 135357804
4-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3,5-difluoro-N-hydroxybenzamide
CID 142452109

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(5-thiophen-2-yltetrazol-1-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(5-thiophen-2-yltetrazol-1-yl)methyl]benzamide (CID 135357843) is N-hydroxy-4-[(5-thiophen-2-yltetrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(5-thiophen-2-yltetrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(5-thiophen-2-yltetrazol-1-yl)methyl]benzamide is O=C(NO)c1ccc(Cn2nnnc2-c2cccs2)cc1.
What is the InChIKey of N-hydroxy-4-[(5-thiophen-2-yltetrazol-1-yl)methyl]benzamide?
The InChIKey is UFUGFWWXDWPEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S/c19-13(15-20)10-5-3-9(4-6-10)8-18-12(14-16-17-18)11-2-1-7-21-11/h1-7,20H,8H2,(H,15,19).
What are the key properties of N-hydroxy-4-[(5-thiophen-2-yltetrazol-1-yl)methyl]benzamide?
N-hydroxy-4-[(5-thiophen-2-yltetrazol-1-yl)methyl]benzamide has a molecular weight of 301.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(5-thiophen-2-yltetrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 135357843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).