2-(2,5-dimethylphenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide

C14H15N3OS — CID 43187799

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide
SMILESCc1ccc(C)c(Sc2ncccc2/C(N)=N/O)c1
InChIInChI=1S/C14H15N3OS/c1-9-5-6-10(2)12(8-9)19-14-11(13(15)17-18)4-3-7-16-14/h3-8,18H,1-2H3,(H2,15,17)
InChIKeyHFPJWBXGRYAEHS-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.94
Rot. Bonds3

About 2-(2,5-dimethylphenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide

2-(2,5-dimethylphenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide (PubChem CID 43187799) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide
PubChem CID43187799
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide
SMILESCc1ccc(C)c(Sc2ncccc2/C(N)=N/O)c1
InChIInChI=1S/C14H15N3OS/c1-9-5-6-10(2)12(8-9)19-14-11(13(15)17-18)4-3-7-16-14/h3-8,18H,1-2H3,(H2,15,17)
InChIKeyHFPJWBXGRYAEHS-UHFFFAOYSA-N
XLogP2.94
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide (CID 43187799) is 2-(2,5-dimethylphenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide is Cc1ccc(C)c(Sc2ncccc2/C(N)=N/O)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is HFPJWBXGRYAEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-9-5-6-10(2)12(8-9)19-14-11(13(15)17-18)4-3-7-16-14/h3-8,18H,1-2H3,(H2,15,17).
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide?
2-(2,5-dimethylphenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 273.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 43187799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).