[(4-fluorobenzoyl)amino]thiourea

C8H8FN3OS — CID 1487638

IUPAC[(4-fluorobenzoyl)amino]thiourea
SMILESNC(=S)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C8H8FN3OS/c9-6-3-1-5(2-4-6)7(13)11-12-8(10)14/h1-4H,(H,11,13)(H3,10,12,14)
InChIKeyBOEQIETVMZXIGN-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.30
Rot. Bonds1

About [(4-fluorobenzoyl)amino]thiourea

[(4-fluorobenzoyl)amino]thiourea (PubChem CID 1487638) has the molecular formula C8H8FN3OS and a molecular weight of 213.24 g/mol. Its IUPAC name is [(4-fluorobenzoyl)amino]thiourea.

Molecular Properties

Compound Name[(4-fluorobenzoyl)amino]thiourea
PubChem CID1487638
Molecular FormulaC8H8FN3OS
Molecular Weight213.24 g/mol
Exact Mass213.04
IUPAC Name[(4-fluorobenzoyl)amino]thiourea
SMILESNC(=S)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C8H8FN3OS/c9-6-3-1-5(2-4-6)7(13)11-12-8(10)14/h1-4H,(H,11,13)(H3,10,12,14)
InChIKeyBOEQIETVMZXIGN-UHFFFAOYSA-N
XLogP0.30
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4-fluorobenzoyl)amino]thiourea?
The IUPAC name of [(4-fluorobenzoyl)amino]thiourea (CID 1487638) is [(4-fluorobenzoyl)amino]thiourea.
What is the SMILES notation for [(4-fluorobenzoyl)amino]thiourea?
The canonical SMILES for [(4-fluorobenzoyl)amino]thiourea is NC(=S)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of [(4-fluorobenzoyl)amino]thiourea?
The InChIKey is BOEQIETVMZXIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3OS/c9-6-3-1-5(2-4-6)7(13)11-12-8(10)14/h1-4H,(H,11,13)(H3,10,12,14).
What are the key properties of [(4-fluorobenzoyl)amino]thiourea?
[(4-fluorobenzoyl)amino]thiourea has a molecular weight of 213.24 g/mol, XLogP of 0.30, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-fluorobenzoyl)amino]thiourea is sourced from PubChem (CID 1487638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).