1-(4-fluorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea

C10H9FN4O2S — CID 173343597

IUPAC1-(4-fluorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea
SMILESO=C1CS/C(=N/NC(=O)Nc2ccc(F)cc2)N1
InChIInChI=1S/C10H9FN4O2S/c11-6-1-3-7(4-2-6)12-9(17)14-15-10-13-8(16)5-18-10/h1-4H,5H2,(H2,12,14,17)(H,13,15,16)
InChIKeyXORHOLRUPFURJP-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.08
Rot. Bonds2

About 1-(4-fluorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea

1-(4-fluorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea (PubChem CID 173343597) has the molecular formula C10H9FN4O2S and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea
PubChem CID173343597
Molecular FormulaC10H9FN4O2S
Molecular Weight268.27 g/mol
Exact Mass268.04
IUPAC Name1-(4-fluorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea
SMILESO=C1CS/C(=N/NC(=O)Nc2ccc(F)cc2)N1
InChIInChI=1S/C10H9FN4O2S/c11-6-1-3-7(4-2-6)12-9(17)14-15-10-13-8(16)5-18-10/h1-4H,5H2,(H2,12,14,17)(H,13,15,16)
InChIKeyXORHOLRUPFURJP-UHFFFAOYSA-N
XLogP1.08
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-(4-fluorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea (CID 173343597) is 1-(4-fluorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea is O=C1CS/C(=N/NC(=O)Nc2ccc(F)cc2)N1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea?
The InChIKey is XORHOLRUPFURJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O2S/c11-6-1-3-7(4-2-6)12-9(17)14-15-10-13-8(16)5-18-10/h1-4H,5H2,(H2,12,14,17)(H,13,15,16).
What are the key properties of 1-(4-fluorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea?
1-(4-fluorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea has a molecular weight of 268.27 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea is sourced from PubChem (CID 173343597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).