4-[(6-amino-3-pyridinyl)sulfanylmethyl]benzohydrazide

C13H14N4OS — CID 63590631

IUPAC4-[(6-amino-3-pyridinyl)sulfanylmethyl]benzohydrazide
SMILESNNC(=O)c1ccc(CSc2ccc(N)nc2)cc1
InChIInChI=1S/C13H14N4OS/c14-12-6-5-11(7-16-12)19-8-9-1-3-10(4-2-9)13(18)17-15/h1-7H,8,15H2,(H2,14,16)(H,17,18)
InChIKeyIBGMIIACOJZEHS-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.56
Rot. Bonds4

About 4-[(6-amino-3-pyridinyl)sulfanylmethyl]benzohydrazide

4-[(6-amino-3-pyridinyl)sulfanylmethyl]benzohydrazide (PubChem CID 63590631) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-[(6-amino-3-pyridinyl)sulfanylmethyl]benzohydrazide.

Molecular Properties

Compound Name4-[(6-amino-3-pyridinyl)sulfanylmethyl]benzohydrazide
PubChem CID63590631
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name4-[(6-amino-3-pyridinyl)sulfanylmethyl]benzohydrazide
SMILESNNC(=O)c1ccc(CSc2ccc(N)nc2)cc1
InChIInChI=1S/C13H14N4OS/c14-12-6-5-11(7-16-12)19-8-9-1-3-10(4-2-9)13(18)17-15/h1-7H,8,15H2,(H2,14,16)(H,17,18)
InChIKeyIBGMIIACOJZEHS-UHFFFAOYSA-N
XLogP1.56
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(6-amino-3-pyridinyl)sulfanylmethyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(6-amino-3-pyridinyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352452
4-[(6-amino-3-pyridinyl)sulfanylmethyl]-3-bromobenzohydrazide
CID 102774983
3-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzohydrazide
CID 107459175
3-[(6-amino-3-pyridinyl)sulfanyl]propanehydrazide
CID 63590449
5-[(6-amino-3-pyridinyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide
CID 63591336
methyl 4-[(6-amino-3-pyridinyl)sulfanylmethyl]-2-fluorobenzoate
CID 106698636
2-[(6-amino-3-pyridinyl)sulfanyl]acetamide
CID 43302194
5-(thiophen-3-ylmethylsulfanyl)pyridin-2-amine
CID 43646241
5-[(6-amino-3-pyridinyl)sulfanylmethyl]furan-3-carboxylic acid
CID 62267988
5-[(4-amino-3-methylphenyl)sulfanylmethyl]pyridin-2-amine
CID 112655235
4-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzohydrazide
CID 63580138
methyl 3-[(6-amino-3-pyridinyl)sulfanylmethyl]furan-2-carboxylate
CID 43301854

Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-3-pyridinyl)sulfanylmethyl]benzohydrazide?
The IUPAC name of 4-[(6-amino-3-pyridinyl)sulfanylmethyl]benzohydrazide (CID 63590631) is 4-[(6-amino-3-pyridinyl)sulfanylmethyl]benzohydrazide.
What is the SMILES notation for 4-[(6-amino-3-pyridinyl)sulfanylmethyl]benzohydrazide?
The canonical SMILES for 4-[(6-amino-3-pyridinyl)sulfanylmethyl]benzohydrazide is NNC(=O)c1ccc(CSc2ccc(N)nc2)cc1.
What is the InChIKey of 4-[(6-amino-3-pyridinyl)sulfanylmethyl]benzohydrazide?
The InChIKey is IBGMIIACOJZEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c14-12-6-5-11(7-16-12)19-8-9-1-3-10(4-2-9)13(18)17-15/h1-7H,8,15H2,(H2,14,16)(H,17,18).
What are the key properties of 4-[(6-amino-3-pyridinyl)sulfanylmethyl]benzohydrazide?
4-[(6-amino-3-pyridinyl)sulfanylmethyl]benzohydrazide has a molecular weight of 274.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-3-pyridinyl)sulfanylmethyl]benzohydrazide is sourced from PubChem (CID 63590631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).