2-(2-methylphenoxy)pyridine-4-carbothioamide

C13H12N2OS — CID 24710338

IUPAC2-(2-methylphenoxy)pyridine-4-carbothioamide
SMILESCc1ccccc1Oc1cc(C(N)=S)ccn1
InChIInChI=1S/C13H12N2OS/c1-9-4-2-3-5-11(9)16-12-8-10(13(14)17)6-7-15-12/h2-8H,1H3,(H2,14,17)
InChIKeyWUTCMRIZQFSZIX-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.82
Rot. Bonds3

About 2-(2-methylphenoxy)pyridine-4-carbothioamide

2-(2-methylphenoxy)pyridine-4-carbothioamide (PubChem CID 24710338) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-(2-methylphenoxy)pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)pyridine-4-carbothioamide
PubChem CID24710338
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name2-(2-methylphenoxy)pyridine-4-carbothioamide
SMILESCc1ccccc1Oc1cc(C(N)=S)ccn1
InChIInChI=1S/C13H12N2OS/c1-9-4-2-3-5-11(9)16-12-8-10(13(14)17)6-7-15-12/h2-8H,1H3,(H2,14,17)
InChIKeyWUTCMRIZQFSZIX-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

2-(2-methylquinolin-8-yl)oxypyridine-4-carbothioamide
CID 43352182
2-(2,3,6-trimethylphenoxy)pyridine-4-carbothioamide
CID 43345578
4-(2-methylphenoxy)benzenecarbothioamide
CID 20985850
2-(4-bromo-2-fluorophenoxy)pyridine-4-carbothioamide
CID 43123431
2-(4-bromo-2-chlorophenoxy)pyridine-4-carbothioamide
CID 28893016
3,5-difluoro-4-(2-methylphenoxy)benzenecarbothioamide
CID 81286479
6-(2-methylphenoxy)pyridine-2-carbothioamide
CID 64596092
4-methoxy-3-[2-(2-methylphenoxy)ethoxy]benzenecarbothioamide
CID 20987436
5-methyl-2-(2-methylphenoxy)pyridin-4-amine
CID 83266263
2-(2-ethoxyphenoxy)-6-methylpyridine-4-carbothioamide
CID 114768094
2-(2,2,2-trifluoroethoxy)pyridine-4-carbothioamide
CID 24697236
2-(2,6-dimethylphenoxy)pyridine-4-carboximidamide
CID 24710757

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)pyridine-4-carbothioamide?
The IUPAC name of 2-(2-methylphenoxy)pyridine-4-carbothioamide (CID 24710338) is 2-(2-methylphenoxy)pyridine-4-carbothioamide.
What is the SMILES notation for 2-(2-methylphenoxy)pyridine-4-carbothioamide?
The canonical SMILES for 2-(2-methylphenoxy)pyridine-4-carbothioamide is Cc1ccccc1Oc1cc(C(N)=S)ccn1.
What is the InChIKey of 2-(2-methylphenoxy)pyridine-4-carbothioamide?
The InChIKey is WUTCMRIZQFSZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-9-4-2-3-5-11(9)16-12-8-10(13(14)17)6-7-15-12/h2-8H,1H3,(H2,14,17).
What are the key properties of 2-(2-methylphenoxy)pyridine-4-carbothioamide?
2-(2-methylphenoxy)pyridine-4-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 2-(2-methylphenoxy)pyridine-4-carbothioamide is sourced from PubChem (CID 24710338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).