O-[(6-methoxy-2-pyridinyl)] N-methylcarbamothioate

C8H10N2O2S — CID 54422420

IUPACO-[(6-methoxy-2-pyridinyl)] N-methylcarbamothioate
SMILESCNC(=S)Oc1cccc(OC)n1
InChIInChI=1S/C8H10N2O2S/c1-9-8(13)12-7-5-3-4-6(10-7)11-2/h3-5H,1-2H3,(H,9,13)
InChIKeyWBSXMJWFBKLMRS-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.97
Rot. Bonds2

About O-[(6-methoxy-2-pyridinyl)] N-methylcarbamothioate

O-[(6-methoxy-2-pyridinyl)] N-methylcarbamothioate (PubChem CID 54422420) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is O-[(6-methoxy-2-pyridinyl)] N-methylcarbamothioate.

Molecular Properties

Compound NameO-[(6-methoxy-2-pyridinyl)] N-methylcarbamothioate
PubChem CID54422420
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC NameO-[(6-methoxy-2-pyridinyl)] N-methylcarbamothioate
SMILESCNC(=S)Oc1cccc(OC)n1
InChIInChI=1S/C8H10N2O2S/c1-9-8(13)12-7-5-3-4-6(10-7)11-2/h3-5H,1-2H3,(H,9,13)
InChIKeyWBSXMJWFBKLMRS-UHFFFAOYSA-N
XLogP0.97
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.97
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

2-[(6-methoxy-2-pyridinyl)oxy]ethanol
CID 139263973
1-(6-methoxy-3-phenyl-2-pyridinyl)-3-methylthiourea
CID 20622709
2-methoxy-6-(2,2,2-trifluoroethoxy)pyridine
CID 154265042
1-[(6-methoxy-2-pyridinyl)methyl]-2,3-dimethylguanidine
CID 110916980
6-methoxypyridine-2-carbonyl chloride
CID 86688296
lithium trihydroxy-(6-methoxy-2-pyridinyl)boranuide
CID 56973093
1-(6-methoxy-2-pyridinyl)-2-(methylamino)ethanone;dihydrochloride
CID 135349233
1-(6-methoxy-2-pyridinyl)-3-phenylpropane-1,3-dione
CID 156773654
6-methoxy-N-propan-2-ylpyridin-2-amine
CID 15593350
N-ethyl-2-[(6-methoxy-2-pyridinyl)oxy]ethanamine
CID 63586299
(Z)-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-enoic acid
CID 103347787
2-(6-methoxy-2-pyridinyl)-N-methyl-1-phenylethanamine
CID 63586131

Frequently Asked Questions

What is the IUPAC name of O-[(6-methoxy-2-pyridinyl)] N-methylcarbamothioate?
The IUPAC name of O-[(6-methoxy-2-pyridinyl)] N-methylcarbamothioate (CID 54422420) is O-[(6-methoxy-2-pyridinyl)] N-methylcarbamothioate.
What is the SMILES notation for O-[(6-methoxy-2-pyridinyl)] N-methylcarbamothioate?
The canonical SMILES for O-[(6-methoxy-2-pyridinyl)] N-methylcarbamothioate is CNC(=S)Oc1cccc(OC)n1.
What is the InChIKey of O-[(6-methoxy-2-pyridinyl)] N-methylcarbamothioate?
The InChIKey is WBSXMJWFBKLMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-9-8(13)12-7-5-3-4-6(10-7)11-2/h3-5H,1-2H3,(H,9,13).
What are the key properties of O-[(6-methoxy-2-pyridinyl)] N-methylcarbamothioate?
O-[(6-methoxy-2-pyridinyl)] N-methylcarbamothioate has a molecular weight of 198.25 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(6-methoxy-2-pyridinyl)] N-methylcarbamothioate is sourced from PubChem (CID 54422420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).