[[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]thiourea

C10H10F3N3O2S — CID 87565512

IUPAC[[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]thiourea
SMILESNC(=S)NNC(=O)Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C10H10F3N3O2S/c11-10(12,13)18-7-4-2-1-3-6(7)5-8(17)15-16-9(14)19/h1-4H,5H2,(H,15,17)(H3,14,16,19)
InChIKeyWZGNVNYCQMJJTE-UHFFFAOYSA-N
MW293.27 g/mol
LogP0.99
Rot. Bonds3

About [[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]thiourea

[[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]thiourea (PubChem CID 87565512) has the molecular formula C10H10F3N3O2S and a molecular weight of 293.27 g/mol. Its IUPAC name is [[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]thiourea.

Molecular Properties

Compound Name[[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]thiourea
PubChem CID87565512
Molecular FormulaC10H10F3N3O2S
Molecular Weight293.27 g/mol
Exact Mass293.04
IUPAC Name[[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]thiourea
SMILESNC(=S)NNC(=O)Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C10H10F3N3O2S/c11-10(12,13)18-7-4-2-1-3-6(7)5-8(17)15-16-9(14)19/h1-4H,5H2,(H,15,17)(H3,14,16,19)
InChIKeyWZGNVNYCQMJJTE-UHFFFAOYSA-N
XLogP0.99
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]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-[2-(trifluoromethyl)phenyl]acetyl]amino]thiourea
CID 90874503
[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]thiourea
CID 87565289
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
2-hydroxy-3-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 106170862
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
2-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 55035674
1,5-bis[2-(trifluoromethoxy)phenyl]pentan-3-one
CID 174483817
1-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119275621
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
4-chloro-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 63309225
2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703728

Frequently Asked Questions

What is the IUPAC name of [[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]thiourea?
The IUPAC name of [[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]thiourea (CID 87565512) is [[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]thiourea.
What is the SMILES notation for [[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]thiourea?
The canonical SMILES for [[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]thiourea is NC(=S)NNC(=O)Cc1ccccc1OC(F)(F)F.
What is the InChIKey of [[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]thiourea?
The InChIKey is WZGNVNYCQMJJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2S/c11-10(12,13)18-7-4-2-1-3-6(7)5-8(17)15-16-9(14)19/h1-4H,5H2,(H,15,17)(H3,14,16,19).
What are the key properties of [[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]thiourea?
[[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]thiourea has a molecular weight of 293.27 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]thiourea is sourced from PubChem (CID 87565512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).