1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-(4-fluorophenyl)urea

C10H11FN4OS — CID 57091911

IUPAC1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-(4-fluorophenyl)urea
SMILESO=C(NNC1=NCCS1)Nc1ccc(F)cc1
InChIInChI=1S/C10H11FN4OS/c11-7-1-3-8(4-2-7)13-9(16)14-15-10-12-5-6-17-10/h1-4H,5-6H2,(H,12,15)(H2,13,14,16)
InChIKeyCKKMDBJIIFYNDE-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.55
Rot. Bonds1

About 1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-(4-fluorophenyl)urea

1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-(4-fluorophenyl)urea (PubChem CID 57091911) has the molecular formula C10H11FN4OS and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-(4-fluorophenyl)urea
PubChem CID57091911
Molecular FormulaC10H11FN4OS
Molecular Weight254.29 g/mol
Exact Mass254.06
IUPAC Name1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-(4-fluorophenyl)urea
SMILESO=C(NNC1=NCCS1)Nc1ccc(F)cc1
InChIInChI=1S/C10H11FN4OS/c11-7-1-3-8(4-2-7)13-9(16)14-15-10-12-5-6-17-10/h1-4H,5-6H2,(H,12,15)(H2,13,14,16)
InChIKeyCKKMDBJIIFYNDE-UHFFFAOYSA-N
XLogP1.55
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-(4-fluorophenyl)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-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-(4-fluorophenyl)urea (CID 57091911) is 1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-(4-fluorophenyl)urea is O=C(NNC1=NCCS1)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-(4-fluorophenyl)urea?
The InChIKey is CKKMDBJIIFYNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4OS/c11-7-1-3-8(4-2-7)13-9(16)14-15-10-12-5-6-17-10/h1-4H,5-6H2,(H,12,15)(H2,13,14,16).
What are the key properties of 1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-(4-fluorophenyl)urea?
1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-(4-fluorophenyl)urea has a molecular weight of 254.29 g/mol, XLogP of 1.55, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 57091911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).