2-[4-[(6-amino-3-pyridinyl)sulfanylmethyl]phenyl]acetohydrazide

C14H16N4OS — CID 105352452

IUPAC2-[4-[(6-amino-3-pyridinyl)sulfanylmethyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CSc2ccc(N)nc2)cc1
InChIInChI=1S/C14H16N4OS/c15-13-6-5-12(8-17-13)20-9-11-3-1-10(2-4-11)7-14(19)18-16/h1-6,8H,7,9,16H2,(H2,15,17)(H,18,19)
InChIKeyWDDITQVZVOSQBI-UHFFFAOYSA-N
MW288.38 g/mol
LogP1.49
Rot. Bonds5

About 2-[4-[(6-amino-3-pyridinyl)sulfanylmethyl]phenyl]acetohydrazide

2-[4-[(6-amino-3-pyridinyl)sulfanylmethyl]phenyl]acetohydrazide (PubChem CID 105352452) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 2-[4-[(6-amino-3-pyridinyl)sulfanylmethyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[(6-amino-3-pyridinyl)sulfanylmethyl]phenyl]acetohydrazide
PubChem CID105352452
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name2-[4-[(6-amino-3-pyridinyl)sulfanylmethyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CSc2ccc(N)nc2)cc1
InChIInChI=1S/C14H16N4OS/c15-13-6-5-12(8-17-13)20-9-11-3-1-10(2-4-11)7-14(19)18-16/h1-6,8H,7,9,16H2,(H2,15,17)(H,18,19)
InChIKeyWDDITQVZVOSQBI-UHFFFAOYSA-N
XLogP1.49
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.49
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'}

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Related Compounds

4-[(6-amino-3-pyridinyl)sulfanylmethyl]benzohydrazide
CID 63590631
3-[(6-amino-3-pyridinyl)sulfanyl]propanehydrazide
CID 63590449
2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]acetohydrazide
CID 105352319
4-[(6-amino-3-pyridinyl)sulfanylmethyl]-3-bromobenzohydrazide
CID 102774983
3-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzohydrazide
CID 107459175
2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352545
methyl 4-[(6-amino-3-pyridinyl)sulfanylmethyl]-2-fluorobenzoate
CID 106698636
2-[(6-amino-3-pyridinyl)sulfanyl]acetamide
CID 43302194
5-[(6-amino-3-pyridinyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide
CID 63591336
5-(thiophen-3-ylmethylsulfanyl)pyridin-2-amine
CID 43646241
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide
CID 43302063
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(4-propylphenyl)acetamide
CID 43301596

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-amino-3-pyridinyl)sulfanylmethyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[(6-amino-3-pyridinyl)sulfanylmethyl]phenyl]acetohydrazide (CID 105352452) is 2-[4-[(6-amino-3-pyridinyl)sulfanylmethyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[(6-amino-3-pyridinyl)sulfanylmethyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[(6-amino-3-pyridinyl)sulfanylmethyl]phenyl]acetohydrazide is NNC(=O)Cc1ccc(CSc2ccc(N)nc2)cc1.
What is the InChIKey of 2-[4-[(6-amino-3-pyridinyl)sulfanylmethyl]phenyl]acetohydrazide?
The InChIKey is WDDITQVZVOSQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c15-13-6-5-12(8-17-13)20-9-11-3-1-10(2-4-11)7-14(19)18-16/h1-6,8H,7,9,16H2,(H2,15,17)(H,18,19).
What are the key properties of 2-[4-[(6-amino-3-pyridinyl)sulfanylmethyl]phenyl]acetohydrazide?
2-[4-[(6-amino-3-pyridinyl)sulfanylmethyl]phenyl]acetohydrazide has a molecular weight of 288.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-amino-3-pyridinyl)sulfanylmethyl]phenyl]acetohydrazide is sourced from PubChem (CID 105352452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).