1-[(4-fluorophenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea

C18H21FN2S — CID 19675428

IUPAC1-[(4-fluorophenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea
SMILESCCC(NC(=S)NCc1ccc(F)cc1)c1ccc(C)cc1
InChIInChI=1S/C18H21FN2S/c1-3-17(15-8-4-13(2)5-9-15)21-18(22)20-12-14-6-10-16(19)11-7-14/h4-11,17H,3,12H2,1-2H3,(H2,20,21,22)
InChIKeyHTVCOQMBSKHZJL-UHFFFAOYSA-N
MW316.44 g/mol
LogP4.25
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea

1-[(4-fluorophenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea (PubChem CID 19675428) has the molecular formula C18H21FN2S and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea
PubChem CID19675428
Molecular FormulaC18H21FN2S
Molecular Weight316.44 g/mol
Exact Mass316.14
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea
SMILESCCC(NC(=S)NCc1ccc(F)cc1)c1ccc(C)cc1
InChIInChI=1S/C18H21FN2S/c1-3-17(15-8-4-13(2)5-9-15)21-18(22)20-12-14-6-10-16(19)11-7-14/h4-11,17H,3,12H2,1-2H3,(H2,20,21,22)
InChIKeyHTVCOQMBSKHZJL-UHFFFAOYSA-N
XLogP4.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 54.25
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-benzyl-3-(1-phenylpropyl)thiourea
CID 19675340
1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea
CID 175558413
1-[(4-fluorophenyl)methyl]-3-[1-(4-propylphenyl)ethyl]thiourea
CID 17284516
1-(3,4-difluorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]thiourea
CID 100650729
1-(3,5-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
CID 19675396
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 60946165
1-(2-methylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
CID 19675375
1-[(1R)-1-(4-bromophenyl)propyl]-3-(4-methylphenyl)thiourea
CID 8657365
1-[1-(2,5-dimethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]thiourea
CID 19675189
1-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 84955505
1-[(1R)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 100650624
2-(4-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 9296856

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea (CID 19675428) is 1-[(4-fluorophenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea is CCC(NC(=S)NCc1ccc(F)cc1)c1ccc(C)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea?
The InChIKey is HTVCOQMBSKHZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2S/c1-3-17(15-8-4-13(2)5-9-15)21-18(22)20-12-14-6-10-16(19)11-7-14/h4-11,17H,3,12H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea?
1-[(4-fluorophenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea has a molecular weight of 316.44 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea is sourced from PubChem (CID 19675428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).