1-hydroxy-1-[1-(5-phenylthiophen-2-yl)ethyl]urea

C13H14N2O2S — CID 10801450

IUPAC1-hydroxy-1-[1-(5-phenylthiophen-2-yl)ethyl]urea
SMILESCC(c1ccc(-c2ccccc2)s1)N(O)C(N)=O
InChIInChI=1S/C13H14N2O2S/c1-9(15(17)13(14)16)11-7-8-12(18-11)10-5-3-2-4-6-10/h2-9,17H,1H3,(H2,14,16)
InChIKeyMDNYBMLOOGWOAC-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.25
Rot. Bonds3

About 1-hydroxy-1-[1-(5-phenylthiophen-2-yl)ethyl]urea

1-hydroxy-1-[1-(5-phenylthiophen-2-yl)ethyl]urea (PubChem CID 10801450) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-hydroxy-1-[1-(5-phenylthiophen-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[1-(5-phenylthiophen-2-yl)ethyl]urea
PubChem CID10801450
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name1-hydroxy-1-[1-(5-phenylthiophen-2-yl)ethyl]urea
SMILESCC(c1ccc(-c2ccccc2)s1)N(O)C(N)=O
InChIInChI=1S/C13H14N2O2S/c1-9(15(17)13(14)16)11-7-8-12(18-11)10-5-3-2-4-6-10/h2-9,17H,1H3,(H2,14,16)
InChIKeyMDNYBMLOOGWOAC-UHFFFAOYSA-N
XLogP3.25
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[1-(5-phenylthiophen-2-yl)ethyl]urea?
The IUPAC name of 1-hydroxy-1-[1-(5-phenylthiophen-2-yl)ethyl]urea (CID 10801450) is 1-hydroxy-1-[1-(5-phenylthiophen-2-yl)ethyl]urea.
What is the SMILES notation for 1-hydroxy-1-[1-(5-phenylthiophen-2-yl)ethyl]urea?
The canonical SMILES for 1-hydroxy-1-[1-(5-phenylthiophen-2-yl)ethyl]urea is CC(c1ccc(-c2ccccc2)s1)N(O)C(N)=O.
What is the InChIKey of 1-hydroxy-1-[1-(5-phenylthiophen-2-yl)ethyl]urea?
The InChIKey is MDNYBMLOOGWOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-9(15(17)13(14)16)11-7-8-12(18-11)10-5-3-2-4-6-10/h2-9,17H,1H3,(H2,14,16).
What are the key properties of 1-hydroxy-1-[1-(5-phenylthiophen-2-yl)ethyl]urea?
1-hydroxy-1-[1-(5-phenylthiophen-2-yl)ethyl]urea has a molecular weight of 262.33 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[1-(5-phenylthiophen-2-yl)ethyl]urea is sourced from PubChem (CID 10801450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).