1-[[2-(2-fluorophenyl)acetyl]amino]-3-phenylthiourea

C15H14FN3OS — CID 18269916

IUPAC1-[[2-(2-fluorophenyl)acetyl]amino]-3-phenylthiourea
SMILESO=C(Cc1ccccc1F)NNC(=S)Nc1ccccc1
InChIInChI=1S/C15H14FN3OS/c16-13-9-5-4-6-11(13)10-14(20)18-19-15(21)17-12-7-2-1-3-8-12/h1-9H,10H2,(H,18,20)(H2,17,19,21)
InChIKeyFITRLEWFIWBWPI-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.39
Rot. Bonds3

About 1-[[2-(2-fluorophenyl)acetyl]amino]-3-phenylthiourea

1-[[2-(2-fluorophenyl)acetyl]amino]-3-phenylthiourea (PubChem CID 18269916) has the molecular formula C15H14FN3OS and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-[[2-(2-fluorophenyl)acetyl]amino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[[2-(2-fluorophenyl)acetyl]amino]-3-phenylthiourea
PubChem CID18269916
Molecular FormulaC15H14FN3OS
Molecular Weight303.36 g/mol
Exact Mass303.08
IUPAC Name1-[[2-(2-fluorophenyl)acetyl]amino]-3-phenylthiourea
SMILESO=C(Cc1ccccc1F)NNC(=S)Nc1ccccc1
InChIInChI=1S/C15H14FN3OS/c16-13-9-5-4-6-11(13)10-14(20)18-19-15(21)17-12-7-2-1-3-8-12/h1-9H,10H2,(H,18,20)(H2,17,19,21)
InChIKeyFITRLEWFIWBWPI-UHFFFAOYSA-N
XLogP2.39
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.39
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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Related Compounds

1-(4-fluorophenyl)-3-[3-(2-fluorophenyl)propanoylamino]thiourea
CID 9427864
1-(4-fluorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]thiourea
CID 9469486
2-(2-fluorophenyl)-N-(4-hydroxyphenyl)acetamide
CID 28739611
1-(3-chlorophenyl)-3-[3-(2-fluorophenyl)propanoylamino]thiourea
CID 9428355
1-[[2-[(2-fluorophenyl)methylsulfanyl]acetyl]amino]-3-(4-nitrophenyl)thiourea
CID 3844116
1-phenyl-3-[(2-pyridin-1-ium-1-ylacetyl)amino]thiourea
CID 3864523
1-[[(2R,3R)-2,3-dihydroxy-4-oxo-4-[2-(phenylcarbamothioyl)hydrazinyl]butanoyl]amino]-3-phenylthiourea
CID 7096739
1-phenyl-3-[(phenylcarbamothioylamino)carbamothioylamino]urea
CID 102154024
3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide
CID 109020896
1-phenyl-3-[[2-(4-propan-2-yloxyphenyl)acetyl]amino]thiourea
CID 950308
N-[2-[2-[(4-fluorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9469312
N-[4-(4-fluoroanilino)phenyl]-2-(2-fluorophenyl)acetamide
CID 112986867

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-fluorophenyl)acetyl]amino]-3-phenylthiourea?
The IUPAC name of 1-[[2-(2-fluorophenyl)acetyl]amino]-3-phenylthiourea (CID 18269916) is 1-[[2-(2-fluorophenyl)acetyl]amino]-3-phenylthiourea.
What is the SMILES notation for 1-[[2-(2-fluorophenyl)acetyl]amino]-3-phenylthiourea?
The canonical SMILES for 1-[[2-(2-fluorophenyl)acetyl]amino]-3-phenylthiourea is O=C(Cc1ccccc1F)NNC(=S)Nc1ccccc1.
What is the InChIKey of 1-[[2-(2-fluorophenyl)acetyl]amino]-3-phenylthiourea?
The InChIKey is FITRLEWFIWBWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS/c16-13-9-5-4-6-11(13)10-14(20)18-19-15(21)17-12-7-2-1-3-8-12/h1-9H,10H2,(H,18,20)(H2,17,19,21).
What are the key properties of 1-[[2-(2-fluorophenyl)acetyl]amino]-3-phenylthiourea?
1-[[2-(2-fluorophenyl)acetyl]amino]-3-phenylthiourea has a molecular weight of 303.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-fluorophenyl)acetyl]amino]-3-phenylthiourea is sourced from PubChem (CID 18269916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).