6-[3-(methoxymethyl)phenoxy]pyridine-2-carbothioamide

C14H14N2O2S — CID 64593563

IUPAC6-[3-(methoxymethyl)phenoxy]pyridine-2-carbothioamide
SMILESCOCc1cccc(Oc2cccc(C(N)=S)n2)c1
InChIInChI=1S/C14H14N2O2S/c1-17-9-10-4-2-5-11(8-10)18-13-7-3-6-12(16-13)14(15)19/h2-8H,9H2,1H3,(H2,15,19)
InChIKeyVMZRGEKORJTNCS-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.65
Rot. Bonds5

About 6-[3-(methoxymethyl)phenoxy]pyridine-2-carbothioamide

6-[3-(methoxymethyl)phenoxy]pyridine-2-carbothioamide (PubChem CID 64593563) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 6-[3-(methoxymethyl)phenoxy]pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-[3-(methoxymethyl)phenoxy]pyridine-2-carbothioamide
PubChem CID64593563
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name6-[3-(methoxymethyl)phenoxy]pyridine-2-carbothioamide
SMILESCOCc1cccc(Oc2cccc(C(N)=S)n2)c1
InChIInChI=1S/C14H14N2O2S/c1-17-9-10-4-2-5-11(8-10)18-13-7-3-6-12(16-13)14(15)19/h2-8H,9H2,1H3,(H2,15,19)
InChIKeyVMZRGEKORJTNCS-UHFFFAOYSA-N
XLogP2.65
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.65
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

6-(3-fluorophenoxy)pyridine-2-carbothioamide
CID 64593749
6-[3-(methoxymethyl)phenoxy]-N-methylpyridin-2-amine
CID 80876349
2-[3-(methoxymethyl)phenoxy]pyridine
CID 174239052
6-pyridin-3-yloxypyridine-2-carbothioamide
CID 64594143
6-(6-bromonaphthalen-2-yl)oxypyridine-2-carbothioamide
CID 64594328
2-chloro-4-[3-(methoxymethyl)phenoxy]benzenecarbothioamide
CID 63986771
4-chloro-6-[3-(methoxymethyl)phenoxy]-2-methylpyrimidine
CID 63986769
[6-[3-(methoxymethyl)phenoxy]-3-pyridinyl]methanol
CID 63986464
2-ethyl-6-[3-(methoxymethyl)phenoxy]pyrimidin-4-amine
CID 80941964
6-(2-bromo-4-methoxyphenoxy)pyridine-2-carbothioamide
CID 104707183
2-[3-(methoxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide
CID 114769347
2-chloro-6-[3-(methoxymethyl)phenoxy]pyrazine
CID 63985764

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methoxymethyl)phenoxy]pyridine-2-carbothioamide?
The IUPAC name of 6-[3-(methoxymethyl)phenoxy]pyridine-2-carbothioamide (CID 64593563) is 6-[3-(methoxymethyl)phenoxy]pyridine-2-carbothioamide.
What is the SMILES notation for 6-[3-(methoxymethyl)phenoxy]pyridine-2-carbothioamide?
The canonical SMILES for 6-[3-(methoxymethyl)phenoxy]pyridine-2-carbothioamide is COCc1cccc(Oc2cccc(C(N)=S)n2)c1.
What is the InChIKey of 6-[3-(methoxymethyl)phenoxy]pyridine-2-carbothioamide?
The InChIKey is VMZRGEKORJTNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-17-9-10-4-2-5-11(8-10)18-13-7-3-6-12(16-13)14(15)19/h2-8H,9H2,1H3,(H2,15,19).
What are the key properties of 6-[3-(methoxymethyl)phenoxy]pyridine-2-carbothioamide?
6-[3-(methoxymethyl)phenoxy]pyridine-2-carbothioamide has a molecular weight of 274.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methoxymethyl)phenoxy]pyridine-2-carbothioamide is sourced from PubChem (CID 64593563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).