1-(2-ethoxyphenyl)-3-[1-(2-methylphenyl)ethyl]thiourea

C18H22N2OS — CID 133207092

IUPAC1-(2-ethoxyphenyl)-3-[1-(2-methylphenyl)ethyl]thiourea
SMILESCCOc1ccccc1NC(=S)NC(C)c1ccccc1C
InChIInChI=1S/C18H22N2OS/c1-4-21-17-12-8-7-11-16(17)20-18(22)19-14(3)15-10-6-5-9-13(15)2/h5-12,14H,4H2,1-3H3,(H2,19,20,22)
InChIKeySTBLARGUJMJTHU-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.44
Rot. Bonds5

About 1-(2-ethoxyphenyl)-3-[1-(2-methylphenyl)ethyl]thiourea

1-(2-ethoxyphenyl)-3-[1-(2-methylphenyl)ethyl]thiourea (PubChem CID 133207092) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[1-(2-methylphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[1-(2-methylphenyl)ethyl]thiourea
PubChem CID133207092
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name1-(2-ethoxyphenyl)-3-[1-(2-methylphenyl)ethyl]thiourea
SMILESCCOc1ccccc1NC(=S)NC(C)c1ccccc1C
InChIInChI=1S/C18H22N2OS/c1-4-21-17-12-8-7-11-16(17)20-18(22)19-14(3)15-10-6-5-9-13(15)2/h5-12,14H,4H2,1-3H3,(H2,19,20,22)
InChIKeySTBLARGUJMJTHU-UHFFFAOYSA-N
XLogP4.44
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.44
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-(2-ethoxyphenyl)-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]thiourea
CID 100706087
1-(2-ethoxyphenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]thiourea
CID 92512967
1-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)thiourea
CID 7775056
1-(2-ethoxyphenyl)-3-[(1S)-3-methyl-1-phenylbutyl]thiourea
CID 100653732
1-[1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)thiourea
CID 19675228
1-[(1S)-1-(2,4-dimethylphenyl)propyl]-3-(2-ethoxyphenyl)thiourea
CID 100732266
1-(2-methylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657843
1-(2-ethoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 133215505
1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2-methylphenyl)thiourea
CID 8629060
1-[(3,5-dimethylphenyl)methyl]-3-(2-ethoxyphenyl)thiourea
CID 3837590
1-(2-ethoxyphenyl)-3-(2-methylbutan-2-yl)thiourea
CID 19652810
1-(4,6-dimethylpyrimidin-2-yl)-3-(2-ethoxyphenyl)thiourea
CID 19678089

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[1-(2-methylphenyl)ethyl]thiourea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[1-(2-methylphenyl)ethyl]thiourea (CID 133207092) is 1-(2-ethoxyphenyl)-3-[1-(2-methylphenyl)ethyl]thiourea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[1-(2-methylphenyl)ethyl]thiourea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[1-(2-methylphenyl)ethyl]thiourea is CCOc1ccccc1NC(=S)NC(C)c1ccccc1C.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[1-(2-methylphenyl)ethyl]thiourea?
The InChIKey is STBLARGUJMJTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-4-21-17-12-8-7-11-16(17)20-18(22)19-14(3)15-10-6-5-9-13(15)2/h5-12,14H,4H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-(2-ethoxyphenyl)-3-[1-(2-methylphenyl)ethyl]thiourea?
1-(2-ethoxyphenyl)-3-[1-(2-methylphenyl)ethyl]thiourea has a molecular weight of 314.45 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[1-(2-methylphenyl)ethyl]thiourea is sourced from PubChem (CID 133207092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).