1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylthiourea

C15H15FN2S — CID 92512959

IUPAC1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylthiourea
SMILESC[C@@H](NC(=S)Nc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H15FN2S/c1-11(12-7-9-13(16)10-8-12)17-15(19)18-14-5-3-2-4-6-14/h2-11H,1H3,(H2,17,18,19)/t11-/m1/s1
InChIKeyFTAPCXPJYLHSGB-LLVKDONJSA-N
MW274.36 g/mol
LogP3.87
Rot. Bonds3

About 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylthiourea

1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylthiourea (PubChem CID 92512959) has the molecular formula C15H15FN2S and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylthiourea.

Molecular Properties

Compound Name1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylthiourea
PubChem CID92512959
Molecular FormulaC15H15FN2S
Molecular Weight274.36 g/mol
Exact Mass274.09
IUPAC Name1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylthiourea
SMILESC[C@@H](NC(=S)Nc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H15FN2S/c1-11(12-7-9-13(16)10-8-12)17-15(19)18-14-5-3-2-4-6-14/h2-11H,1H3,(H2,17,18,19)/t11-/m1/s1
InChIKeyFTAPCXPJYLHSGB-LLVKDONJSA-N
XLogP3.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)thiourea
CID 78752939
1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea
CID 27527330
1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)ethyl]thiourea
CID 84836162
1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea
CID 100646112
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
N-[4-[[(1S)-1-(4-fluorophenyl)ethyl]carbamothioylamino]phenyl]-2-methoxybenzamide
CID 20847106
1-[1-(3,4-dimethylphenyl)ethyl]-3-phenylthiourea
CID 19674967
1-(4-fluorophenyl)-3-[(1S)-3-methyl-1-phenylbutyl]thiourea
CID 9217668
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1S)-1-(4-fluorophenyl)ethyl]thiourea
CID 135020508
4-[[(1R)-1-(4-fluorophenyl)ethyl]carbamothioylamino]-N,N-dimethylbenzamide
CID 100647093
methyl 3-[[(1R)-1-(4-fluorophenyl)ethyl]carbamothioylamino]benzoate
CID 100646498
1-phenyl-3-[1-(4-pyrrolidin-1-ylphenyl)ethyl]thiourea
CID 133216188

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylthiourea?
The IUPAC name of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylthiourea (CID 92512959) is 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylthiourea.
What is the SMILES notation for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylthiourea?
The canonical SMILES for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylthiourea is C[C@@H](NC(=S)Nc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylthiourea?
The InChIKey is FTAPCXPJYLHSGB-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15FN2S/c1-11(12-7-9-13(16)10-8-12)17-15(19)18-14-5-3-2-4-6-14/h2-11H,1H3,(H2,17,18,19)/t11-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylthiourea?
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylthiourea has a molecular weight of 274.36 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylthiourea is sourced from PubChem (CID 92512959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).