1,3-bis[(4-fluorophenyl)methyl]thiourea

C15H14F2N2S — CID 2737815

IUPAC1,3-bis[(4-fluorophenyl)methyl]thiourea
SMILESFc1ccc(CNC(=S)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H14F2N2S/c16-13-5-1-11(2-6-13)9-18-15(20)19-10-12-3-7-14(17)8-4-12/h1-8H,9-10H2,(H2,18,19,20)
InChIKeySWGWXOVOACUCHI-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.13
Rot. Bonds4

About 1,3-bis[(4-fluorophenyl)methyl]thiourea

1,3-bis[(4-fluorophenyl)methyl]thiourea (PubChem CID 2737815) has the molecular formula C15H14F2N2S and a molecular weight of 292.35 g/mol. Its IUPAC name is 1,3-bis[(4-fluorophenyl)methyl]thiourea.

Molecular Properties

Compound Name1,3-bis[(4-fluorophenyl)methyl]thiourea
PubChem CID2737815
Molecular FormulaC15H14F2N2S
Molecular Weight292.35 g/mol
Exact Mass292.08
IUPAC Name1,3-bis[(4-fluorophenyl)methyl]thiourea
SMILESFc1ccc(CNC(=S)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H14F2N2S/c16-13-5-1-11(2-6-13)9-18-15(20)19-10-12-3-7-14(17)8-4-12/h1-8H,9-10H2,(H2,18,19,20)
InChIKeySWGWXOVOACUCHI-UHFFFAOYSA-N
XLogP3.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.13
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

N,N'-Dibenzylthiourea
CID 838375
Imidazole-2-thiol, 4-phenyl-
CID 1132611
N-(Phenylmethyl)thiourea
CID 737375
1-benzyl-1H-imidazole-2-thiol
CID 667838
5-Benzyl-1,3,5-triazinane-2-thione
CID 674806
1,1-Dibenzyl-3-prop-2-en-1-ylthiourea
CID 1552103
2H-Imidazole-2-thione, 1,3-dihydro-4-(4-fluorophenyl)-
CID 3022078
Benzyl[(4-fluorophenyl)methyl]amine
CID 784761
3-Benzyl-1,1-dimethyl-2-thiourea
CID 855080
5-Benzyl-1-propyl-1,3,5-triazinane-2-thione
CID 751582
1-Benzyl-3-cyclohexyl-1-propan-2-ylthiourea
CID 714760
1-Benzyl-5-phenethyl-1,3,5-triazinane-2-thione
CID 751710

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(4-fluorophenyl)methyl]thiourea?
The IUPAC name of 1,3-bis[(4-fluorophenyl)methyl]thiourea (CID 2737815) is 1,3-bis[(4-fluorophenyl)methyl]thiourea.
What is the SMILES notation for 1,3-bis[(4-fluorophenyl)methyl]thiourea?
The canonical SMILES for 1,3-bis[(4-fluorophenyl)methyl]thiourea is Fc1ccc(CNC(=S)NCc2ccc(F)cc2)cc1.
What is the InChIKey of 1,3-bis[(4-fluorophenyl)methyl]thiourea?
The InChIKey is SWGWXOVOACUCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2S/c16-13-5-1-11(2-6-13)9-18-15(20)19-10-12-3-7-14(17)8-4-12/h1-8H,9-10H2,(H2,18,19,20).
What are the key properties of 1,3-bis[(4-fluorophenyl)methyl]thiourea?
1,3-bis[(4-fluorophenyl)methyl]thiourea has a molecular weight of 292.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(4-fluorophenyl)methyl]thiourea is sourced from PubChem (CID 2737815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).