(2-oxo-4-sulfanyl-1-pyridinyl)urea

C6H7N3O2S — CID 54312857

IUPAC(2-oxo-4-sulfanyl-1-pyridinyl)urea
SMILESNC(=O)Nn1ccc(S)cc1=O
InChIInChI=1S/C6H7N3O2S/c7-6(11)8-9-2-1-4(12)3-5(9)10/h1-3,12H,(H3,7,8,11)
InChIKeySMCRJGPWOVOSTC-UHFFFAOYSA-N
MW185.21 g/mol
LogP-0.24
Rot. Bonds1

About (2-oxo-4-sulfanyl-1-pyridinyl)urea

(2-oxo-4-sulfanyl-1-pyridinyl)urea (PubChem CID 54312857) has the molecular formula C6H7N3O2S and a molecular weight of 185.21 g/mol. Its IUPAC name is (2-oxo-4-sulfanyl-1-pyridinyl)urea.

Molecular Properties

Compound Name(2-oxo-4-sulfanyl-1-pyridinyl)urea
PubChem CID54312857
Molecular FormulaC6H7N3O2S
Molecular Weight185.21 g/mol
Exact Mass185.03
IUPAC Name(2-oxo-4-sulfanyl-1-pyridinyl)urea
SMILESNC(=O)Nn1ccc(S)cc1=O
InChIInChI=1S/C6H7N3O2S/c7-6(11)8-9-2-1-4(12)3-5(9)10/h1-3,12H,(H3,7,8,11)
InChIKeySMCRJGPWOVOSTC-UHFFFAOYSA-N
XLogP-0.24
TPSA77.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
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 (2-oxo-4-sulfanyl-1-pyridinyl)urea?
The IUPAC name of (2-oxo-4-sulfanyl-1-pyridinyl)urea (CID 54312857) is (2-oxo-4-sulfanyl-1-pyridinyl)urea.
What is the SMILES notation for (2-oxo-4-sulfanyl-1-pyridinyl)urea?
The canonical SMILES for (2-oxo-4-sulfanyl-1-pyridinyl)urea is NC(=O)Nn1ccc(S)cc1=O.
What is the InChIKey of (2-oxo-4-sulfanyl-1-pyridinyl)urea?
The InChIKey is SMCRJGPWOVOSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2S/c7-6(11)8-9-2-1-4(12)3-5(9)10/h1-3,12H,(H3,7,8,11).
What are the key properties of (2-oxo-4-sulfanyl-1-pyridinyl)urea?
(2-oxo-4-sulfanyl-1-pyridinyl)urea has a molecular weight of 185.21 g/mol, XLogP of -0.24, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-4-sulfanyl-1-pyridinyl)urea is sourced from PubChem (CID 54312857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).