1-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]-1-hydroxyurea

C12H11FN2O2S — CID 89098886

IUPAC1-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]-1-hydroxyurea
SMILESNC(=O)N(O)c1ccc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C12H11FN2O2S/c13-9-3-1-8(2-4-9)7-10-5-6-11(18-10)15(17)12(14)16/h1-6,17H,7H2,(H2,14,16)
InChIKeyKBGRQSWNZHYWHF-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.75
Rot. Bonds3

About 1-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]-1-hydroxyurea

1-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]-1-hydroxyurea (PubChem CID 89098886) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]-1-hydroxyurea
PubChem CID89098886
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name1-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]-1-hydroxyurea
SMILESNC(=O)N(O)c1ccc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C12H11FN2O2S/c13-9-3-1-8(2-4-9)7-10-5-6-11(18-10)15(17)12(14)16/h1-6,17H,7H2,(H2,14,16)
InChIKeyKBGRQSWNZHYWHF-UHFFFAOYSA-N
XLogP2.75
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.75
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-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]-1-hydroxyurea?
The IUPAC name of 1-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]-1-hydroxyurea (CID 89098886) is 1-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]-1-hydroxyurea.
What is the SMILES notation for 1-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]-1-hydroxyurea?
The canonical SMILES for 1-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]-1-hydroxyurea is NC(=O)N(O)c1ccc(Cc2ccc(F)cc2)s1.
What is the InChIKey of 1-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]-1-hydroxyurea?
The InChIKey is KBGRQSWNZHYWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c13-9-3-1-8(2-4-9)7-10-5-6-11(18-10)15(17)12(14)16/h1-6,17H,7H2,(H2,14,16).
What are the key properties of 1-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]-1-hydroxyurea?
1-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]-1-hydroxyurea has a molecular weight of 266.30 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]-1-hydroxyurea is sourced from PubChem (CID 89098886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).