1-[(4-fluorophenyl)methyl]-3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]thiourea

C19H22FN3O2S — CID 8942130

IUPAC1-[(4-fluorophenyl)methyl]-3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]thiourea
SMILESCc1cc(C)c(OCC(=O)NNC(=S)NCc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C19H22FN3O2S/c1-12-8-13(2)18(14(3)9-12)25-11-17(24)22-23-19(26)21-10-15-4-6-16(20)7-5-15/h4-9H,10-11H2,1-3H3,(H,22,24)(H2,21,23,26)
InChIKeyBIHVYXBXMLSHEH-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.83
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]thiourea

1-[(4-fluorophenyl)methyl]-3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]thiourea (PubChem CID 8942130) has the molecular formula C19H22FN3O2S and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]thiourea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]thiourea
PubChem CID8942130
Molecular FormulaC19H22FN3O2S
Molecular Weight375.47 g/mol
Exact Mass375.14
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]thiourea
SMILESCc1cc(C)c(OCC(=O)NNC(=S)NCc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C19H22FN3O2S/c1-12-8-13(2)18(14(3)9-12)25-11-17(24)22-23-19(26)21-10-15-4-6-16(20)7-5-15/h4-9H,10-11H2,1-3H3,(H,22,24)(H2,21,23,26)
InChIKeyBIHVYXBXMLSHEH-UHFFFAOYSA-N
XLogP2.83
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.83
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 1-[(4-fluorophenyl)methyl]-3-[[2-(2,4,6-trimethylphenoxy)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

1-[[2-(4-chloro-2,6-dimethylphenoxy)acetyl]amino]-3-(4-fluorophenyl)thiourea
CID 9469661
1-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-3-[(4-methylphenyl)methyl]thiourea
CID 17373657
1-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-3-[(4-fluorophenyl)methyl]thiourea
CID 8942477
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 7919164
1-[[2-(2-methoxyphenoxy)acetyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea
CID 8654807
1-[(4-fluorophenyl)methyl]-3-[(2-naphthalen-2-ylacetyl)amino]thiourea
CID 8942575
N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 86822231
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 26656621
2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 3624933
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814070
1-[(4-fluorophenyl)methyl]-3-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]thiourea
CID 8943221
2-(4-fluorophenoxy)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]acetamide
CID 110782859

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]thiourea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]thiourea (CID 8942130) is 1-[(4-fluorophenyl)methyl]-3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]thiourea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]thiourea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]thiourea is Cc1cc(C)c(OCC(=O)NNC(=S)NCc2ccc(F)cc2)c(C)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]thiourea?
The InChIKey is BIHVYXBXMLSHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S/c1-12-8-13(2)18(14(3)9-12)25-11-17(24)22-23-19(26)21-10-15-4-6-16(20)7-5-15/h4-9H,10-11H2,1-3H3,(H,22,24)(H2,21,23,26).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]thiourea?
1-[(4-fluorophenyl)methyl]-3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]thiourea has a molecular weight of 375.47 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]thiourea is sourced from PubChem (CID 8942130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).