1-[4-(difluoromethoxy)phenyl]-3-(2-phenoxyphenyl)thiourea

C20H16F2N2O2S — CID 7941483

IUPAC1-[4-(difluoromethoxy)phenyl]-3-(2-phenoxyphenyl)thiourea
SMILESFC(F)Oc1ccc(NC(=S)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C20H16F2N2O2S/c21-19(22)26-16-12-10-14(11-13-16)23-20(27)24-17-8-4-5-9-18(17)25-15-6-2-1-3-7-15/h1-13,19H,(H2,23,24,27)
InChIKeyUQNOWYMNKGCCBQ-UHFFFAOYSA-N
MW386.42 g/mol
LogP5.89
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-3-(2-phenoxyphenyl)thiourea

1-[4-(difluoromethoxy)phenyl]-3-(2-phenoxyphenyl)thiourea (PubChem CID 7941483) has the molecular formula C20H16F2N2O2S and a molecular weight of 386.42 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-3-(2-phenoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-3-(2-phenoxyphenyl)thiourea
PubChem CID7941483
Molecular FormulaC20H16F2N2O2S
Molecular Weight386.42 g/mol
Exact Mass386.09
IUPAC Name1-[4-(difluoromethoxy)phenyl]-3-(2-phenoxyphenyl)thiourea
SMILESFC(F)Oc1ccc(NC(=S)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C20H16F2N2O2S/c21-19(22)26-16-12-10-14(11-13-16)23-20(27)24-17-8-4-5-9-18(17)25-15-6-2-1-3-7-15/h1-13,19H,(H2,23,24,27)
InChIKeyUQNOWYMNKGCCBQ-UHFFFAOYSA-N
XLogP5.89
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.42
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-3-phenylthiourea
CID 3426180
1-(2-benzylphenyl)-3-[4-(difluoromethoxy)phenyl]thiourea
CID 8615211
1-(4-acetylphenyl)-3-[2-(difluoromethoxy)phenyl]thiourea
CID 17284899
1-(2-phenoxyphenyl)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 17300035
1-[4-(difluoromethoxy)phenyl]-3-[3-[[4-(difluoromethoxy)phenyl]carbamothioylamino]-4-methoxyphenyl]thiourea
CID 4158492
1-(2-bromophenyl)-3-(4-phenoxyphenyl)thiourea
CID 2621118
1-[4-(difluoromethoxy)phenyl]-3-(3-phenoxypropyl)thiourea
CID 9238435
1-phenyl-3-(2-propan-2-yloxyphenyl)thiourea
CID 17150868
1-(4-fluorophenyl)-3-(2-phenoxyphenyl)urea
CID 971524
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(2-ethoxyphenyl)thiourea
CID 3838049
[(2S)-1-[[4-(difluoromethoxy)phenyl]carbamothioylamino]-3-phenylpropan-2-yl]-dimethylazanium
CID 8656066
1-(4-bromo-2-chlorophenyl)-3-[4-(difluoromethoxy)phenyl]thiourea
CID 4846322

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-(2-phenoxyphenyl)thiourea?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-(2-phenoxyphenyl)thiourea (CID 7941483) is 1-[4-(difluoromethoxy)phenyl]-3-(2-phenoxyphenyl)thiourea.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-3-(2-phenoxyphenyl)thiourea?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-3-(2-phenoxyphenyl)thiourea is FC(F)Oc1ccc(NC(=S)Nc2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-3-(2-phenoxyphenyl)thiourea?
The InChIKey is UQNOWYMNKGCCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2S/c21-19(22)26-16-12-10-14(11-13-16)23-20(27)24-17-8-4-5-9-18(17)25-15-6-2-1-3-7-15/h1-13,19H,(H2,23,24,27).
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-3-(2-phenoxyphenyl)thiourea?
1-[4-(difluoromethoxy)phenyl]-3-(2-phenoxyphenyl)thiourea has a molecular weight of 386.42 g/mol, XLogP of 5.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-3-(2-phenoxyphenyl)thiourea is sourced from PubChem (CID 7941483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).