5-(3-methylphenoxy)pyridine-2-carbothioamide

C13H12N2OS — CID 113321030

IUPAC5-(3-methylphenoxy)pyridine-2-carbothioamide
SMILESCc1cccc(Oc2ccc(C(N)=S)nc2)c1
InChIInChI=1S/C13H12N2OS/c1-9-3-2-4-10(7-9)16-11-5-6-12(13(14)17)15-8-11/h2-8H,1H3,(H2,14,17)
InChIKeyUYYLBNUYKVCNOC-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.82
Rot. Bonds3

About 5-(3-methylphenoxy)pyridine-2-carbothioamide

5-(3-methylphenoxy)pyridine-2-carbothioamide (PubChem CID 113321030) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 5-(3-methylphenoxy)pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-(3-methylphenoxy)pyridine-2-carbothioamide
PubChem CID113321030
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name5-(3-methylphenoxy)pyridine-2-carbothioamide
SMILESCc1cccc(Oc2ccc(C(N)=S)nc2)c1
InChIInChI=1S/C13H12N2OS/c1-9-3-2-4-10(7-9)16-11-5-6-12(13(14)17)15-8-11/h2-8H,1H3,(H2,14,17)
InChIKeyUYYLBNUYKVCNOC-UHFFFAOYSA-N
XLogP2.82
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[5-(3-methylphenoxy)-2-pyridinyl]ethanamine
CID 83127048
5-(4-chloro-2-methylphenoxy)pyridine-2-carbothioamide
CID 113321034
5-(2-ethoxyphenoxy)pyridine-2-carbothioamide
CID 115488829
5-(2-chlorophenoxy)pyridine-2-carbothioamide
CID 113321027
4-methyl-2-(3-methylphenoxy)benzenecarbothioamide
CID 62301443
5-(5-bromo-2,3-difluorophenoxy)pyridine-2-carbothioamide
CID 107098345
5-(2,4-dichlorophenoxy)pyridine-2-carbothioamide
CID 115488843
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
5-(3-tert-butylphenoxy)pyridine-2-carboximidamide
CID 115489822
1-[5-(3,5-dimethylphenoxy)-2-pyridinyl]ethanone
CID 83119321
5-(N,4-dimethylanilino)pyridine-2-carbothioamide
CID 115488502
4-(3-methoxyphenoxy)pyridine-2-carbothioamide
CID 62925939

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenoxy)pyridine-2-carbothioamide?
The IUPAC name of 5-(3-methylphenoxy)pyridine-2-carbothioamide (CID 113321030) is 5-(3-methylphenoxy)pyridine-2-carbothioamide.
What is the SMILES notation for 5-(3-methylphenoxy)pyridine-2-carbothioamide?
The canonical SMILES for 5-(3-methylphenoxy)pyridine-2-carbothioamide is Cc1cccc(Oc2ccc(C(N)=S)nc2)c1.
What is the InChIKey of 5-(3-methylphenoxy)pyridine-2-carbothioamide?
The InChIKey is UYYLBNUYKVCNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-9-3-2-4-10(7-9)16-11-5-6-12(13(14)17)15-8-11/h2-8H,1H3,(H2,14,17).
What are the key properties of 5-(3-methylphenoxy)pyridine-2-carbothioamide?
5-(3-methylphenoxy)pyridine-2-carbothioamide has a molecular weight of 244.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenoxy)pyridine-2-carbothioamide is sourced from PubChem (CID 113321030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).