[2-methoxy-5-(trifluoromethyl)phenyl]thiourea

C9H9F3N2OS — CID 75176632

IUPAC[2-methoxy-5-(trifluoromethyl)phenyl]thiourea
SMILESCOc1ccc(C(F)(F)F)cc1NC(N)=S
InChIInChI=1S/C9H9F3N2OS/c1-15-7-3-2-5(9(10,11)12)4-6(7)14-8(13)16/h2-4H,1H3,(H3,13,14,16)
InChIKeyHKNBSBQMZIDUTD-UHFFFAOYSA-N
MW250.24 g/mol
LogP2.37
Rot. Bonds2

About [2-methoxy-5-(trifluoromethyl)phenyl]thiourea

[2-methoxy-5-(trifluoromethyl)phenyl]thiourea (PubChem CID 75176632) has the molecular formula C9H9F3N2OS and a molecular weight of 250.24 g/mol. Its IUPAC name is [2-methoxy-5-(trifluoromethyl)phenyl]thiourea.

Molecular Properties

Compound Name[2-methoxy-5-(trifluoromethyl)phenyl]thiourea
PubChem CID75176632
Molecular FormulaC9H9F3N2OS
Molecular Weight250.24 g/mol
Exact Mass250.04
IUPAC Name[2-methoxy-5-(trifluoromethyl)phenyl]thiourea
SMILESCOc1ccc(C(F)(F)F)cc1NC(N)=S
InChIInChI=1S/C9H9F3N2OS/c1-15-7-3-2-5(9(10,11)12)4-6(7)14-8(13)16/h2-4H,1H3,(H3,13,14,16)
InChIKeyHKNBSBQMZIDUTD-UHFFFAOYSA-N
XLogP2.37
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-methoxy-5-(trifluoromethyl)phenyl]thiourea 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

2-methoxy-N-methyl-5-(trifluoromethyl)aniline
CID 21307264
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 86609606
3,3,3-triiodopropyl N-[2-methoxy-5-(trifluoromethyl)phenyl]carbamate
CID 71169167
1-(5-tert-butyl-2-methoxyphenyl)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 2209557
1-(3,5-dichlorophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
CID 54332053
2-methoxy-4-(trifluoromethyl)benzamide
CID 3788214
1-(2-bromothiophen-3-yl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
CID 138720410
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443
2-[(2-methoxybenzoyl)amino]-4-(trifluoromethyl)benzamide
CID 59299610
(2-methoxy-5-methylsulfonylphenyl)thiourea
CID 87942230
[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]thiourea
CID 169357396
3-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 20604816

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-(trifluoromethyl)phenyl]thiourea?
The IUPAC name of [2-methoxy-5-(trifluoromethyl)phenyl]thiourea (CID 75176632) is [2-methoxy-5-(trifluoromethyl)phenyl]thiourea.
What is the SMILES notation for [2-methoxy-5-(trifluoromethyl)phenyl]thiourea?
The canonical SMILES for [2-methoxy-5-(trifluoromethyl)phenyl]thiourea is COc1ccc(C(F)(F)F)cc1NC(N)=S.
What is the InChIKey of [2-methoxy-5-(trifluoromethyl)phenyl]thiourea?
The InChIKey is HKNBSBQMZIDUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2OS/c1-15-7-3-2-5(9(10,11)12)4-6(7)14-8(13)16/h2-4H,1H3,(H3,13,14,16).
What are the key properties of [2-methoxy-5-(trifluoromethyl)phenyl]thiourea?
[2-methoxy-5-(trifluoromethyl)phenyl]thiourea has a molecular weight of 250.24 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-(trifluoromethyl)phenyl]thiourea is sourced from PubChem (CID 75176632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).