3-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpropanehydrazide

C14H14ClN3OS — CID 64560762

IUPAC3-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpropanehydrazide
SMILESNNC(=O)C(CSc1ccc(Cl)cn1)c1ccccc1
InChIInChI=1S/C14H14ClN3OS/c15-11-6-7-13(17-8-11)20-9-12(14(19)18-16)10-4-2-1-3-5-10/h1-8,12H,9,16H2,(H,18,19)
InChIKeyQWIMAAJQXDRXND-UHFFFAOYSA-N
MW307.81 g/mol
LogP2.60
Rot. Bonds5

About 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpropanehydrazide

3-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpropanehydrazide (PubChem CID 64560762) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpropanehydrazide.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpropanehydrazide
PubChem CID64560762
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC Name3-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpropanehydrazide
SMILESNNC(=O)C(CSc1ccc(Cl)cn1)c1ccccc1
InChIInChI=1S/C14H14ClN3OS/c15-11-6-7-13(17-8-11)20-9-12(14(19)18-16)10-4-2-1-3-5-10/h1-8,12H,9,16H2,(H,18,19)
InChIKeyQWIMAAJQXDRXND-UHFFFAOYSA-N
XLogP2.60
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-phenyl-3-pyridin-2-ylsulfanylpropanehydrazide
CID 64561520
3-(2-amino-6-chlorophenyl)sulfanyl-2-phenylpropanehydrazide
CID 64558643
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethyl-1-phenylethanamine
CID 64631470
methyl 3-[(5-bromo-2-pyridinyl)sulfanyl]-2-phenylpropanoate
CID 64566635
3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methylbutanehydrazide
CID 79405258
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylpropanehydrazide
CID 64560562
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylpropanehydrazide
CID 64560177
3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-phenylpropanehydrazide
CID 64559984
2-(3-hydrazinyl-3-oxo-2-phenylpropyl)sulfanyl-N-methylacetamide
CID 114232081
3-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropanehydrazide
CID 63590276
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 112815555
methyl 2-phenyl-3-pyrazin-2-ylsulfanylpropanoate
CID 64566022

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpropanehydrazide?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpropanehydrazide (CID 64560762) is 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpropanehydrazide.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpropanehydrazide?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpropanehydrazide is NNC(=O)C(CSc1ccc(Cl)cn1)c1ccccc1.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpropanehydrazide?
The InChIKey is QWIMAAJQXDRXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c15-11-6-7-13(17-8-11)20-9-12(14(19)18-16)10-4-2-1-3-5-10/h1-8,12H,9,16H2,(H,18,19).
What are the key properties of 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpropanehydrazide?
3-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpropanehydrazide has a molecular weight of 307.81 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpropanehydrazide is sourced from PubChem (CID 64560762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).