1-(2-fluorophenyl)-3-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiourea

C15H13F2N3OS2 — CID 9468573

IUPAC1-(2-fluorophenyl)-3-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiourea
SMILESO=C(CSc1ccc(F)cc1)NNC(=S)Nc1ccccc1F
InChIInChI=1S/C15H13F2N3OS2/c16-10-5-7-11(8-6-10)23-9-14(21)19-20-15(22)18-13-4-2-1-3-12(13)17/h1-8H,9H2,(H,19,21)(H2,18,20,22)
InChIKeyDJMSGFNWUMSSHZ-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.07
Rot. Bonds4

About 1-(2-fluorophenyl)-3-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiourea

1-(2-fluorophenyl)-3-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiourea (PubChem CID 9468573) has the molecular formula C15H13F2N3OS2 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiourea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiourea
PubChem CID9468573
Molecular FormulaC15H13F2N3OS2
Molecular Weight353.42 g/mol
Exact Mass353.05
IUPAC Name1-(2-fluorophenyl)-3-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiourea
SMILESO=C(CSc1ccc(F)cc1)NNC(=S)Nc1ccccc1F
InChIInChI=1S/C15H13F2N3OS2/c16-10-5-7-11(8-6-10)23-9-14(21)19-20-15(22)18-13-4-2-1-3-12(13)17/h1-8H,9H2,(H,19,21)(H2,18,20,22)
InChIKeyDJMSGFNWUMSSHZ-UHFFFAOYSA-N
XLogP3.07
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2194605
1-(2-fluorophenyl)-3-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]thiourea
CID 9468599
N-(4-fluorophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712820
N-(2,6-difluorophenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 7284421
N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide
CID 7970067
2-(4-fluorophenyl)sulfanyl-N-(2-iodophenyl)acetamide
CID 2704723
1-[[2-(3-fluorophenoxy)acetyl]amino]-3-(2-fluorophenyl)thiourea
CID 9468538
1-(2,5-dimethylphenyl)-3-[[2-(4-methylphenyl)sulfanylacetyl]amino]thiourea
CID 8682794
(2S)-2-(2-fluorophenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]propanehydrazide
CID 7910833
1-(2-fluorophenyl)-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]thiourea
CID 9468603
N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 42000152
2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-phenylethyl)benzamide
CID 8886336

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiourea?
The IUPAC name of 1-(2-fluorophenyl)-3-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiourea (CID 9468573) is 1-(2-fluorophenyl)-3-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiourea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiourea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiourea is O=C(CSc1ccc(F)cc1)NNC(=S)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiourea?
The InChIKey is DJMSGFNWUMSSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3OS2/c16-10-5-7-11(8-6-10)23-9-14(21)19-20-15(22)18-13-4-2-1-3-12(13)17/h1-8H,9H2,(H,19,21)(H2,18,20,22).
What are the key properties of 1-(2-fluorophenyl)-3-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiourea?
1-(2-fluorophenyl)-3-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiourea has a molecular weight of 353.42 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiourea is sourced from PubChem (CID 9468573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).