[(2-methylsulfanylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine

C16H21N3OS — CID 105330517

IUPAC[(2-methylsulfanylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
SMILESCSc1ccccc1C(NN)c1cncc(OC(C)C)c1
InChIInChI=1S/C16H21N3OS/c1-11(2)20-13-8-12(9-18-10-13)16(19-17)14-6-4-5-7-15(14)21-3/h4-11,16,19H,17H2,1-3H3
InChIKeyXSKMDOVZYAPNLY-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.14
Rot. Bonds6

About [(2-methylsulfanylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine

[(2-methylsulfanylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine (PubChem CID 105330517) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is [(2-methylsulfanylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-methylsulfanylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
PubChem CID105330517
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name[(2-methylsulfanylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
SMILESCSc1ccccc1C(NN)c1cncc(OC(C)C)c1
InChIInChI=1S/C16H21N3OS/c1-11(2)20-13-8-12(9-18-10-13)16(19-17)14-6-4-5-7-15(14)21-3/h4-11,16,19H,17H2,1-3H3
InChIKeyXSKMDOVZYAPNLY-UHFFFAOYSA-N
XLogP3.14
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105330102
[(5-fluoro-3-pyridinyl)-(2-methylsulfanylphenyl)methyl]hydrazine
CID 105288108
[(2,3-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105330458
N-methyl-1-(2-methylsulfanylphenyl)-1-(3-propan-2-yloxyphenyl)methanamine
CID 105019109
[(2-methoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105191302
[(3,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105330468
[(4-ethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105197467
[(5-propan-2-yloxy-3-pyridinyl)-pyrimidin-4-ylmethyl]hydrazine
CID 105221122
[(2-methyl-4-pyridinyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 106756674
[(3-bromo-2-pyridinyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105268181
[(2-bromophenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105208806
[(3-bromothiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105330543

Frequently Asked Questions

What is the IUPAC name of [(2-methylsulfanylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine?
The IUPAC name of [(2-methylsulfanylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine (CID 105330517) is [(2-methylsulfanylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine.
What is the SMILES notation for [(2-methylsulfanylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine?
The canonical SMILES for [(2-methylsulfanylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine is CSc1ccccc1C(NN)c1cncc(OC(C)C)c1.
What is the InChIKey of [(2-methylsulfanylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine?
The InChIKey is XSKMDOVZYAPNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11(2)20-13-8-12(9-18-10-13)16(19-17)14-6-4-5-7-15(14)21-3/h4-11,16,19H,17H2,1-3H3.
What are the key properties of [(2-methylsulfanylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine?
[(2-methylsulfanylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine has a molecular weight of 303.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methylsulfanylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine is sourced from PubChem (CID 105330517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).