6-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-2-carbothioamide

C15H17N3OS — CID 107735430

IUPAC6-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-2-carbothioamide
SMILESCCN(c1cccc(C(N)=S)n1)c1cc(O)ccc1C
InChIInChI=1S/C15H17N3OS/c1-3-18(13-9-11(19)8-7-10(13)2)14-6-4-5-12(17-14)15(16)20/h4-9,19H,3H2,1-2H3,(H2,16,20)
InChIKeyDRNXYWZEMWJSEG-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.89
Rot. Bonds4

About 6-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-2-carbothioamide

6-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-2-carbothioamide (PubChem CID 107735430) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 6-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-2-carbothioamide
PubChem CID107735430
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name6-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-2-carbothioamide
SMILESCCN(c1cccc(C(N)=S)n1)c1cc(O)ccc1C
InChIInChI=1S/C15H17N3OS/c1-3-18(13-9-11(19)8-7-10(13)2)14-6-4-5-12(17-14)15(16)20/h4-9,19H,3H2,1-2H3,(H2,16,20)
InChIKeyDRNXYWZEMWJSEG-UHFFFAOYSA-N
XLogP2.89
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-2-carbothioamide?
The IUPAC name of 6-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-2-carbothioamide (CID 107735430) is 6-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-2-carbothioamide.
What is the SMILES notation for 6-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-2-carbothioamide?
The canonical SMILES for 6-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-2-carbothioamide is CCN(c1cccc(C(N)=S)n1)c1cc(O)ccc1C.
What is the InChIKey of 6-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-2-carbothioamide?
The InChIKey is DRNXYWZEMWJSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-3-18(13-9-11(19)8-7-10(13)2)14-6-4-5-12(17-14)15(16)20/h4-9,19H,3H2,1-2H3,(H2,16,20).
What are the key properties of 6-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-2-carbothioamide?
6-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-2-carbothioamide has a molecular weight of 287.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-2-carbothioamide is sourced from PubChem (CID 107735430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).