1-[2-(difluoromethoxy)phenyl]-3-phenylthiourea

C14H12F2N2OS — CID 3426180

IUPAC1-[2-(difluoromethoxy)phenyl]-3-phenylthiourea
SMILESFC(F)Oc1ccccc1NC(=S)Nc1ccccc1
InChIInChI=1S/C14H12F2N2OS/c15-13(16)19-12-9-5-4-8-11(12)18-14(20)17-10-6-2-1-3-7-10/h1-9,13H,(H2,17,18,20)
InChIKeyTVRNTMMKCPZEGV-UHFFFAOYSA-N
MW294.33 g/mol
LogP4.10
Rot. Bonds4

About 1-[2-(difluoromethoxy)phenyl]-3-phenylthiourea

1-[2-(difluoromethoxy)phenyl]-3-phenylthiourea (PubChem CID 3426180) has the molecular formula C14H12F2N2OS and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-3-phenylthiourea.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-3-phenylthiourea
PubChem CID3426180
Molecular FormulaC14H12F2N2OS
Molecular Weight294.33 g/mol
Exact Mass294.06
IUPAC Name1-[2-(difluoromethoxy)phenyl]-3-phenylthiourea
SMILESFC(F)Oc1ccccc1NC(=S)Nc1ccccc1
InChIInChI=1S/C14H12F2N2OS/c15-13(16)19-12-9-5-4-8-11(12)18-14(20)17-10-6-2-1-3-7-10/h1-9,13H,(H2,17,18,20)
InChIKeyTVRNTMMKCPZEGV-UHFFFAOYSA-N
XLogP4.10
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(difluoromethoxy)phenyl]-3-phenylthiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-3-(2-propan-2-yloxyphenyl)thiourea
CID 17150868
1-(4-acetylphenyl)-3-[2-(difluoromethoxy)phenyl]thiourea
CID 17284899
1-[4-(difluoromethoxy)phenyl]-3-(2-phenoxyphenyl)thiourea
CID 7941483
1-phenyl-3-[2-[2-[2-(phenylcarbamothioylamino)phenoxy]ethoxy]phenyl]thiourea
CID 10346407
1-[2-(difluoromethoxy)phenyl]-3-[(2S)-3,3-dimethylbutan-2-yl]thiourea
CID 2384385
1-[2-(2-methylpropoxy)phenyl]-3-phenylthiourea
CID 17074218
1-[2-(difluoromethoxy)-5-methylphenyl]-3-(2-ethoxyphenyl)thiourea
CID 2205575
N-[[2-(difluoromethoxy)phenyl]carbamothioyl]-4-methylbenzamide
CID 3680959
1-(2-benzylphenyl)-3-[4-(difluoromethoxy)phenyl]thiourea
CID 8615211
1-[2-(difluoromethoxy)phenyl]-3-(3-ethoxypropyl)thiourea
CID 115570269
1-(2-methylsulfanylphenyl)-3-phenylthiourea
CID 17281496
N-[[2-(difluoromethoxy)phenyl]carbamothioyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 22778050

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-3-phenylthiourea?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-3-phenylthiourea (CID 3426180) is 1-[2-(difluoromethoxy)phenyl]-3-phenylthiourea.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-3-phenylthiourea?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-3-phenylthiourea is FC(F)Oc1ccccc1NC(=S)Nc1ccccc1.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-3-phenylthiourea?
The InChIKey is TVRNTMMKCPZEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2OS/c15-13(16)19-12-9-5-4-8-11(12)18-14(20)17-10-6-2-1-3-7-10/h1-9,13H,(H2,17,18,20).
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-3-phenylthiourea?
1-[2-(difluoromethoxy)phenyl]-3-phenylthiourea has a molecular weight of 294.33 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-3-phenylthiourea is sourced from PubChem (CID 3426180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).