2-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-4-carbothioamide

C15H17N3OS — CID 107735427

IUPAC2-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-4-carbothioamide
SMILESCCN(c1cc(C(N)=S)ccn1)c1cc(O)ccc1C
InChIInChI=1S/C15H17N3OS/c1-3-18(13-9-12(19)5-4-10(13)2)14-8-11(15(16)20)6-7-17-14/h4-9,19H,3H2,1-2H3,(H2,16,20)
InChIKeyFBEZASYWRQBJLA-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.89
Rot. Bonds4

About 2-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-4-carbothioamide

2-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-4-carbothioamide (PubChem CID 107735427) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-4-carbothioamide
PubChem CID107735427
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-4-carbothioamide
SMILESCCN(c1cc(C(N)=S)ccn1)c1cc(O)ccc1C
InChIInChI=1S/C15H17N3OS/c1-3-18(13-9-12(19)5-4-10(13)2)14-8-11(15(16)20)6-7-17-14/h4-9,19H,3H2,1-2H3,(H2,16,20)
InChIKeyFBEZASYWRQBJLA-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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Related Compounds

6-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-2-carbothioamide
CID 107735430
2-(N-ethyl-2-methylanilino)pyridine-4-carboximidamide
CID 24700128
2-[ethyl(2-hydroxyethyl)amino]pyridine-4-carbothioamide
CID 60981724
2-chloro-6-(N-ethyl-5-hydroxy-2-methylanilino)benzenecarbothioamide
CID 107735439
2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carbothioamide
CID 61449400
2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carbothioamide
CID 63695419
2-[methyl(pentan-2-yl)amino]pyridine-4-carbothioamide
CID 43572453
2-[(4-carbamothioyl-2-pyridinyl)-methylamino]-N,N-diethylacetamide
CID 61452633
3-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-ethylamino]-4-methylphenol
CID 107733638
2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-4-carbothioamide
CID 55260386
3-[[3-(aminomethyl)-6-methyl-2-pyridinyl]-ethylamino]-4-methylphenol
CID 107733645
ethyl 2-[(4-carbamothioyl-2-pyridinyl)-propan-2-ylamino]acetate
CID 55007460

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-4-carbothioamide?
The IUPAC name of 2-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-4-carbothioamide (CID 107735427) is 2-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-4-carbothioamide.
What is the SMILES notation for 2-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-4-carbothioamide?
The canonical SMILES for 2-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-4-carbothioamide is CCN(c1cc(C(N)=S)ccn1)c1cc(O)ccc1C.
What is the InChIKey of 2-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-4-carbothioamide?
The InChIKey is FBEZASYWRQBJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-3-18(13-9-12(19)5-4-10(13)2)14-8-11(15(16)20)6-7-17-14/h4-9,19H,3H2,1-2H3,(H2,16,20).
What are the key properties of 2-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-4-carbothioamide?
2-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-4-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 2-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-4-carbothioamide is sourced from PubChem (CID 107735427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).