1-(5-methoxy-2-pyridinyl)-1-sulfanylurea

C7H9N3O2S — CID 89422217

IUPAC1-(5-methoxy-2-pyridinyl)-1-sulfanylurea
SMILESCOc1ccc(N(S)C(N)=O)nc1
InChIInChI=1S/C7H9N3O2S/c1-12-5-2-3-6(9-4-5)10(13)7(8)11/h2-4,13H,1H3,(H2,8,11)
InChIKeyFDMIJCJPSHMTLT-UHFFFAOYSA-N
MW199.24 g/mol
LogP0.82
Rot. Bonds2

About 1-(5-methoxy-2-pyridinyl)-1-sulfanylurea

1-(5-methoxy-2-pyridinyl)-1-sulfanylurea (PubChem CID 89422217) has the molecular formula C7H9N3O2S and a molecular weight of 199.24 g/mol. Its IUPAC name is 1-(5-methoxy-2-pyridinyl)-1-sulfanylurea.

Molecular Properties

Compound Name1-(5-methoxy-2-pyridinyl)-1-sulfanylurea
PubChem CID89422217
Molecular FormulaC7H9N3O2S
Molecular Weight199.24 g/mol
Exact Mass199.04
IUPAC Name1-(5-methoxy-2-pyridinyl)-1-sulfanylurea
SMILESCOc1ccc(N(S)C(N)=O)nc1
InChIInChI=1S/C7H9N3O2S/c1-12-5-2-3-6(9-4-5)10(13)7(8)11/h2-4,13H,1H3,(H2,8,11)
InChIKeyFDMIJCJPSHMTLT-UHFFFAOYSA-N
XLogP0.82
TPSA68.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2-pyridinyl)-1-sulfanylurea?
The IUPAC name of 1-(5-methoxy-2-pyridinyl)-1-sulfanylurea (CID 89422217) is 1-(5-methoxy-2-pyridinyl)-1-sulfanylurea.
What is the SMILES notation for 1-(5-methoxy-2-pyridinyl)-1-sulfanylurea?
The canonical SMILES for 1-(5-methoxy-2-pyridinyl)-1-sulfanylurea is COc1ccc(N(S)C(N)=O)nc1.
What is the InChIKey of 1-(5-methoxy-2-pyridinyl)-1-sulfanylurea?
The InChIKey is FDMIJCJPSHMTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c1-12-5-2-3-6(9-4-5)10(13)7(8)11/h2-4,13H,1H3,(H2,8,11).
What are the key properties of 1-(5-methoxy-2-pyridinyl)-1-sulfanylurea?
1-(5-methoxy-2-pyridinyl)-1-sulfanylurea has a molecular weight of 199.24 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-pyridinyl)-1-sulfanylurea is sourced from PubChem (CID 89422217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).