1-(3,5-difluorophenyl)-3-(2-ethoxyphenyl)thiourea

C15H14F2N2OS — CID 53488862

IUPAC1-(3,5-difluorophenyl)-3-(2-ethoxyphenyl)thiourea
SMILESCCOc1ccccc1NC(=S)Nc1cc(F)cc(F)c1
InChIInChI=1S/C15H14F2N2OS/c1-2-20-14-6-4-3-5-13(14)19-15(21)18-12-8-10(16)7-11(17)9-12/h3-9H,2H2,1H3,(H2,18,19,21)
InChIKeyOZGROFYVOHSGLB-UHFFFAOYSA-N
MW308.35 g/mol
LogP4.17
Rot. Bonds4

About 1-(3,5-difluorophenyl)-3-(2-ethoxyphenyl)thiourea

1-(3,5-difluorophenyl)-3-(2-ethoxyphenyl)thiourea (PubChem CID 53488862) has the molecular formula C15H14F2N2OS and a molecular weight of 308.35 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-(2-ethoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-(2-ethoxyphenyl)thiourea
PubChem CID53488862
Molecular FormulaC15H14F2N2OS
Molecular Weight308.35 g/mol
Exact Mass308.08
IUPAC Name1-(3,5-difluorophenyl)-3-(2-ethoxyphenyl)thiourea
SMILESCCOc1ccccc1NC(=S)Nc1cc(F)cc(F)c1
InChIInChI=1S/C15H14F2N2OS/c1-2-20-14-6-4-3-5-13(14)19-15(21)18-12-8-10(16)7-11(17)9-12/h3-9H,2H2,1H3,(H2,18,19,21)
InChIKeyOZGROFYVOHSGLB-UHFFFAOYSA-N
XLogP4.17
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-(2-ethoxyphenyl)thiourea
CID 971987
1-(2-ethoxyphenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]thiourea
CID 92512967
1-(4,6-dimethylpyrimidin-2-yl)-3-(2-ethoxyphenyl)thiourea
CID 19678089
N-[(2-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide
CID 17099525
1-(2-ethoxyphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea
CID 23938189
1-[(3,5-dimethylphenyl)methyl]-3-(2-ethoxyphenyl)thiourea
CID 3837590
1-[2-(difluoromethoxy)-5-methylphenyl]-3-(2-ethoxyphenyl)thiourea
CID 2205575
1-(2-ethoxyphenyl)-3-(2-methylbutan-2-yl)thiourea
CID 19652810
1-phenyl-3-[2-[2-[2-(phenylcarbamothioylamino)phenoxy]ethoxy]phenyl]thiourea
CID 10346407
1-(2-ethoxyphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiourea
CID 19678857
1-(2-ethoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679035
1-decyl-3-(2-ethoxyphenyl)thiourea
CID 19651220

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-(2-ethoxyphenyl)thiourea?
The IUPAC name of 1-(3,5-difluorophenyl)-3-(2-ethoxyphenyl)thiourea (CID 53488862) is 1-(3,5-difluorophenyl)-3-(2-ethoxyphenyl)thiourea.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-(2-ethoxyphenyl)thiourea?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-(2-ethoxyphenyl)thiourea is CCOc1ccccc1NC(=S)Nc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-(2-ethoxyphenyl)thiourea?
The InChIKey is OZGROFYVOHSGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2OS/c1-2-20-14-6-4-3-5-13(14)19-15(21)18-12-8-10(16)7-11(17)9-12/h3-9H,2H2,1H3,(H2,18,19,21).
What are the key properties of 1-(3,5-difluorophenyl)-3-(2-ethoxyphenyl)thiourea?
1-(3,5-difluorophenyl)-3-(2-ethoxyphenyl)thiourea has a molecular weight of 308.35 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-(2-ethoxyphenyl)thiourea is sourced from PubChem (CID 53488862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).