1-(2-fluorophenyl)-3-(3-propan-2-ylphenyl)thiourea

C16H17FN2S — CID 53365175

IUPAC1-(2-fluorophenyl)-3-(3-propan-2-ylphenyl)thiourea
SMILESCC(C)c1cccc(NC(=S)Nc2ccccc2F)c1
InChIInChI=1S/C16H17FN2S/c1-11(2)12-6-5-7-13(10-12)18-16(20)19-15-9-4-3-8-14(15)17/h3-11H,1-2H3,(H2,18,19,20)
InChIKeyHANJEACVEPCWOV-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.76
Rot. Bonds3

About 1-(2-fluorophenyl)-3-(3-propan-2-ylphenyl)thiourea

1-(2-fluorophenyl)-3-(3-propan-2-ylphenyl)thiourea (PubChem CID 53365175) has the molecular formula C16H17FN2S and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(3-propan-2-ylphenyl)thiourea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(3-propan-2-ylphenyl)thiourea
PubChem CID53365175
Molecular FormulaC16H17FN2S
Molecular Weight288.39 g/mol
Exact Mass288.11
IUPAC Name1-(2-fluorophenyl)-3-(3-propan-2-ylphenyl)thiourea
SMILESCC(C)c1cccc(NC(=S)Nc2ccccc2F)c1
InChIInChI=1S/C16H17FN2S/c1-11(2)12-6-5-7-13(10-12)18-16(20)19-15-9-4-3-8-14(15)17/h3-11H,1-2H3,(H2,18,19,20)
InChIKeyHANJEACVEPCWOV-UHFFFAOYSA-N
XLogP4.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylphenyl)-3-(3-propan-2-ylphenyl)thiourea
CID 53488678
1-(3,4-dimethylphenyl)-3-(2-fluorophenyl)thiourea
CID 977185
1-(3,5-dimethoxyphenyl)-3-(3-propan-2-ylphenyl)thiourea
CID 53488693
3-[(3-propan-2-ylphenyl)carbamothioylamino]benzamide
CID 53365173
1-(4-chloro-2,5-dimethoxyphenyl)-3-(3-propan-2-ylphenyl)thiourea
CID 53365187
N-[3-[1-(2-fluoroanilino)ethyl]phenyl]acetamide
CID 43201351
1-(1,3-benzodioxol-5-yl)-3-(3-propan-2-ylphenyl)thiourea
CID 53365169
1-butyl-3-(3-propan-2-ylphenyl)thiourea
CID 113218399
1-(2-fluorophenyl)-3-[(S)-(3-methylphenyl)-phenylmethyl]thiourea
CID 100726835
1-(3-fluoro-2-methylphenyl)-3-(3-methylsulfanylphenyl)thiourea
CID 53364887
1-(2-fluorophenyl)-3-[(1S)-3-methyl-1-phenylbutyl]thiourea
CID 92693799
1-(5-fluoro-2-methylphenyl)-3-(2-fluorophenyl)thiourea
CID 19687280

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(3-propan-2-ylphenyl)thiourea?
The IUPAC name of 1-(2-fluorophenyl)-3-(3-propan-2-ylphenyl)thiourea (CID 53365175) is 1-(2-fluorophenyl)-3-(3-propan-2-ylphenyl)thiourea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(3-propan-2-ylphenyl)thiourea?
The canonical SMILES for 1-(2-fluorophenyl)-3-(3-propan-2-ylphenyl)thiourea is CC(C)c1cccc(NC(=S)Nc2ccccc2F)c1.
What is the InChIKey of 1-(2-fluorophenyl)-3-(3-propan-2-ylphenyl)thiourea?
The InChIKey is HANJEACVEPCWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2S/c1-11(2)12-6-5-7-13(10-12)18-16(20)19-15-9-4-3-8-14(15)17/h3-11H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(2-fluorophenyl)-3-(3-propan-2-ylphenyl)thiourea?
1-(2-fluorophenyl)-3-(3-propan-2-ylphenyl)thiourea has a molecular weight of 288.39 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(3-propan-2-ylphenyl)thiourea is sourced from PubChem (CID 53365175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).