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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Related Compounds

4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]-2,4-dioxobutanoic acid
CID 510829
N-[(2R)-4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]-N-hydroxyacetamide
CID 58721788
5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431523
4-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 51202299
2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47183801
5-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 175759039
5-[(4-fluorophenyl)methyl]-2-(3-oxobutan-2-ylamino)thiophene-3-carboxamide
CID 123182132
1-[(2R)-4-[5-[(4-fluorophenyl)methyl]-4-methylthiophen-2-yl]but-3-yn-2-yl]-1-hydroxyurea
CID 54386525
2-[4-[(4-fluorophenyl)methyl]phenyl]-2-methylpropanamide
CID 70707919
[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methanamine
CID 82054476
5-[(4-fluorophenyl)methyl]-1,2-thiazol-3-amine
CID 112716201
5-[(4-fluorophenyl)methyl]-3H-1,3-thiazole-2-thione
CID 28811332

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).