4-(3-methoxyphenoxy)pyridine-2-carbothioamide

C13H12N2O2S — CID 62925939

IUPAC4-(3-methoxyphenoxy)pyridine-2-carbothioamide
SMILESCOc1cccc(Oc2ccnc(C(N)=S)c2)c1
InChIInChI=1S/C13H12N2O2S/c1-16-9-3-2-4-10(7-9)17-11-5-6-15-12(8-11)13(14)18/h2-8H,1H3,(H2,14,18)
InChIKeyHTKYNKDJJBMTPI-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.52
Rot. Bonds4

About 4-(3-methoxyphenoxy)pyridine-2-carbothioamide

4-(3-methoxyphenoxy)pyridine-2-carbothioamide (PubChem CID 62925939) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-(3-methoxyphenoxy)pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-(3-methoxyphenoxy)pyridine-2-carbothioamide
PubChem CID62925939
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name4-(3-methoxyphenoxy)pyridine-2-carbothioamide
SMILESCOc1cccc(Oc2ccnc(C(N)=S)c2)c1
InChIInChI=1S/C13H12N2O2S/c1-16-9-3-2-4-10(7-9)17-11-5-6-15-12(8-11)13(14)18/h2-8H,1H3,(H2,14,18)
InChIKeyHTKYNKDJJBMTPI-UHFFFAOYSA-N
XLogP2.52
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxypyridine-2-carbothioamide
CID 62926631
4-(4-methoxyphenoxy)pyridine-2-carbothioamide
CID 62924380
2-bromo-4-(3-methoxyphenoxy)benzenecarbothioamide
CID 107278279
6-(3-methoxyphenoxy)pyridine-3-carbothioamide
CID 24697882
4-(4-chloro-2,6-dimethylphenoxy)pyridine-2-carbothioamide
CID 55154938
4-(2-methylquinolin-8-yl)oxypyridine-2-carbothioamide
CID 62926639
2-(3-ethoxyphenoxy)pyrimidine-4-carbothioamide
CID 107548622
4-(1-ethylpyrazol-4-yl)oxypyridine-2-carbothioamide
CID 116801295
[4-(3-methoxyphenoxy)phenyl]thiourea
CID 169356411
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
methyl 4-[3-(aminomethyl)phenoxy]pyridine-2-carboxylate
CID 106485855
4-(2,5-difluorophenoxy)pyridine-2-carbothioamide
CID 55167363

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenoxy)pyridine-2-carbothioamide?
The IUPAC name of 4-(3-methoxyphenoxy)pyridine-2-carbothioamide (CID 62925939) is 4-(3-methoxyphenoxy)pyridine-2-carbothioamide.
What is the SMILES notation for 4-(3-methoxyphenoxy)pyridine-2-carbothioamide?
The canonical SMILES for 4-(3-methoxyphenoxy)pyridine-2-carbothioamide is COc1cccc(Oc2ccnc(C(N)=S)c2)c1.
What is the InChIKey of 4-(3-methoxyphenoxy)pyridine-2-carbothioamide?
The InChIKey is HTKYNKDJJBMTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-16-9-3-2-4-10(7-9)17-11-5-6-15-12(8-11)13(14)18/h2-8H,1H3,(H2,14,18).
What are the key properties of 4-(3-methoxyphenoxy)pyridine-2-carbothioamide?
4-(3-methoxyphenoxy)pyridine-2-carbothioamide has a molecular weight of 260.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenoxy)pyridine-2-carbothioamide is sourced from PubChem (CID 62925939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).