6-(2-methylphenoxy)pyridine-2-carbothioamide

C13H12N2OS — CID 64596092

IUPAC6-(2-methylphenoxy)pyridine-2-carbothioamide
SMILESCc1ccccc1Oc1cccc(C(N)=S)n1
InChIInChI=1S/C13H12N2OS/c1-9-5-2-3-7-11(9)16-12-8-4-6-10(15-12)13(14)17/h2-8H,1H3,(H2,14,17)
InChIKeyXWQNZGHDPWXHDQ-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.82
Rot. Bonds3

About 6-(2-methylphenoxy)pyridine-2-carbothioamide

6-(2-methylphenoxy)pyridine-2-carbothioamide (PubChem CID 64596092) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 6-(2-methylphenoxy)pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-(2-methylphenoxy)pyridine-2-carbothioamide
PubChem CID64596092
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name6-(2-methylphenoxy)pyridine-2-carbothioamide
SMILESCc1ccccc1Oc1cccc(C(N)=S)n1
InChIInChI=1S/C13H12N2OS/c1-9-5-2-3-7-11(9)16-12-8-4-6-10(15-12)13(14)17/h2-8H,1H3,(H2,14,17)
InChIKeyXWQNZGHDPWXHDQ-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

6-(5-bromo-2-methylphenoxy)pyridine-2-carbothioamide
CID 107283847
6-(2-methoxy-4-methylphenoxy)pyridine-2-carbothioamide
CID 64595504
6-(2-bromo-4-methoxyphenoxy)pyridine-2-carbothioamide
CID 104707183
6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbothioamide
CID 81342313
6-(2-fluoro-3-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136745394
2-(2-methylphenoxy)pyridine-4-carbothioamide
CID 24710338
6-pyridin-3-yloxypyridine-2-carbothioamide
CID 64594143
6-(3-fluorophenoxy)pyridine-2-carbothioamide
CID 64593749
4-(2-methylphenoxy)benzenecarbothioamide
CID 20985850
6-[3-(methoxymethyl)phenoxy]pyridine-2-carbothioamide
CID 64593563
6-(6-bromonaphthalen-2-yl)oxypyridine-2-carbothioamide
CID 64594328
5,6-dimethyl-3-(2-methylphenoxy)pyridazine-4-carbothioamide
CID 61098664

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenoxy)pyridine-2-carbothioamide?
The IUPAC name of 6-(2-methylphenoxy)pyridine-2-carbothioamide (CID 64596092) is 6-(2-methylphenoxy)pyridine-2-carbothioamide.
What is the SMILES notation for 6-(2-methylphenoxy)pyridine-2-carbothioamide?
The canonical SMILES for 6-(2-methylphenoxy)pyridine-2-carbothioamide is Cc1ccccc1Oc1cccc(C(N)=S)n1.
What is the InChIKey of 6-(2-methylphenoxy)pyridine-2-carbothioamide?
The InChIKey is XWQNZGHDPWXHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-9-5-2-3-7-11(9)16-12-8-4-6-10(15-12)13(14)17/h2-8H,1H3,(H2,14,17).
What are the key properties of 6-(2-methylphenoxy)pyridine-2-carbothioamide?
6-(2-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 6-(2-methylphenoxy)pyridine-2-carbothioamide is sourced from PubChem (CID 64596092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).