1-hydroxy-1-[(5-pyridin-2-ylthiophen-2-yl)methyl]urea

C11H11N3O2S — CID 54516710

IUPAC1-hydroxy-1-[(5-pyridin-2-ylthiophen-2-yl)methyl]urea
SMILESNC(=O)N(O)Cc1ccc(-c2ccccn2)s1
InChIInChI=1S/C11H11N3O2S/c12-11(15)14(16)7-8-4-5-10(17-8)9-3-1-2-6-13-9/h1-6,16H,7H2,(H2,12,15)
InChIKeyYMXPFZYHCWDPIQ-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.08
Rot. Bonds3

About 1-hydroxy-1-[(5-pyridin-2-ylthiophen-2-yl)methyl]urea

1-hydroxy-1-[(5-pyridin-2-ylthiophen-2-yl)methyl]urea (PubChem CID 54516710) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 1-hydroxy-1-[(5-pyridin-2-ylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[(5-pyridin-2-ylthiophen-2-yl)methyl]urea
PubChem CID54516710
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name1-hydroxy-1-[(5-pyridin-2-ylthiophen-2-yl)methyl]urea
SMILESNC(=O)N(O)Cc1ccc(-c2ccccn2)s1
InChIInChI=1S/C11H11N3O2S/c12-11(15)14(16)7-8-4-5-10(17-8)9-3-1-2-6-13-9/h1-6,16H,7H2,(H2,12,15)
InChIKeyYMXPFZYHCWDPIQ-UHFFFAOYSA-N
XLogP2.08
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-hydroxy-1-[(5-pyridin-2-ylthiophen-2-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[(5-pyridin-2-ylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-hydroxy-1-[(5-pyridin-2-ylthiophen-2-yl)methyl]urea (CID 54516710) is 1-hydroxy-1-[(5-pyridin-2-ylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-hydroxy-1-[(5-pyridin-2-ylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-hydroxy-1-[(5-pyridin-2-ylthiophen-2-yl)methyl]urea is NC(=O)N(O)Cc1ccc(-c2ccccn2)s1.
What is the InChIKey of 1-hydroxy-1-[(5-pyridin-2-ylthiophen-2-yl)methyl]urea?
The InChIKey is YMXPFZYHCWDPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c12-11(15)14(16)7-8-4-5-10(17-8)9-3-1-2-6-13-9/h1-6,16H,7H2,(H2,12,15).
What are the key properties of 1-hydroxy-1-[(5-pyridin-2-ylthiophen-2-yl)methyl]urea?
1-hydroxy-1-[(5-pyridin-2-ylthiophen-2-yl)methyl]urea has a molecular weight of 249.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[(5-pyridin-2-ylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 54516710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).