[(2,6-difluorobenzoyl)amino]thiourea

C8H7F2N3OS — CID 65217088

IUPAC[(2,6-difluorobenzoyl)amino]thiourea
SMILESNC(=S)NNC(=O)c1c(F)cccc1F
InChIInChI=1S/C8H7F2N3OS/c9-4-2-1-3-5(10)6(4)7(14)12-13-8(11)15/h1-3H,(H,12,14)(H3,11,13,15)
InChIKeyFUJODHGSCJEQNW-UHFFFAOYSA-N
MW231.23 g/mol
LogP0.44
Rot. Bonds1

About [(2,6-difluorobenzoyl)amino]thiourea

[(2,6-difluorobenzoyl)amino]thiourea (PubChem CID 65217088) has the molecular formula C8H7F2N3OS and a molecular weight of 231.23 g/mol. Its IUPAC name is [(2,6-difluorobenzoyl)amino]thiourea.

Molecular Properties

Compound Name[(2,6-difluorobenzoyl)amino]thiourea
PubChem CID65217088
Molecular FormulaC8H7F2N3OS
Molecular Weight231.23 g/mol
Exact Mass231.03
IUPAC Name[(2,6-difluorobenzoyl)amino]thiourea
SMILESNC(=S)NNC(=O)c1c(F)cccc1F
InChIInChI=1S/C8H7F2N3OS/c9-4-2-1-3-5(10)6(4)7(14)12-13-8(11)15/h1-3H,(H,12,14)(H3,11,13,15)
InChIKeyFUJODHGSCJEQNW-UHFFFAOYSA-N
XLogP0.44
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 50.44
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'}

Analyze [(2,6-difluorobenzoyl)amino]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(carbamothioylamino)-6-fluorobenzamide
CID 169356311
N'-(4-bromobenzoyl)-2,6-difluorobenzohydrazide
CID 36702536
benzamidothiourea
CID 781748
2-[(carbamothioylamino)carbamoyl]benzamide
CID 15536924
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,6-difluorobenzamide
CID 62094599
CID 161042703
CID 161042703
2,6-difluoro-N'-[2-(trifluoromethoxy)benzoyl]benzohydrazide
CID 2744785
(2,6-difluorobenzoyl)carbamic acid;hydrochloride
CID 70544596
N-acetyl-2,6-difluorobenzamide
CID 2805165
2,6-difluoro-N'-phenylsulfanylbenzohydrazide
CID 142366791
N-(2-carbamothioyl-3-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343600
N-(2-amino-2-sulfanylideneethyl)-2-bromo-6-fluorobenzamide
CID 114559233

Frequently Asked Questions

What is the IUPAC name of [(2,6-difluorobenzoyl)amino]thiourea?
The IUPAC name of [(2,6-difluorobenzoyl)amino]thiourea (CID 65217088) is [(2,6-difluorobenzoyl)amino]thiourea.
What is the SMILES notation for [(2,6-difluorobenzoyl)amino]thiourea?
The canonical SMILES for [(2,6-difluorobenzoyl)amino]thiourea is NC(=S)NNC(=O)c1c(F)cccc1F.
What is the InChIKey of [(2,6-difluorobenzoyl)amino]thiourea?
The InChIKey is FUJODHGSCJEQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3OS/c9-4-2-1-3-5(10)6(4)7(14)12-13-8(11)15/h1-3H,(H,12,14)(H3,11,13,15).
What are the key properties of [(2,6-difluorobenzoyl)amino]thiourea?
[(2,6-difluorobenzoyl)amino]thiourea has a molecular weight of 231.23 g/mol, XLogP of 0.44, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,6-difluorobenzoyl)amino]thiourea is sourced from PubChem (CID 65217088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).