1-(3-methoxyphenyl)-3-[(1R)-1-phenylethyl]thiourea

C16H18N2OS — CID 8619758

IUPAC1-(3-methoxyphenyl)-3-[(1R)-1-phenylethyl]thiourea
SMILESCOc1cccc(NC(=S)N[C@H](C)c2ccccc2)c1
InChIInChI=1S/C16H18N2OS/c1-12(13-7-4-3-5-8-13)17-16(20)18-14-9-6-10-15(11-14)19-2/h3-12H,1-2H3,(H2,17,18,20)/t12-/m1/s1
InChIKeyDBJDNXFPVVGUHV-GFCCVEGCSA-N
MW286.40 g/mol
LogP3.74
Rot. Bonds4

About 1-(3-methoxyphenyl)-3-[(1R)-1-phenylethyl]thiourea

1-(3-methoxyphenyl)-3-[(1R)-1-phenylethyl]thiourea (PubChem CID 8619758) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[(1R)-1-phenylethyl]thiourea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[(1R)-1-phenylethyl]thiourea
PubChem CID8619758
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name1-(3-methoxyphenyl)-3-[(1R)-1-phenylethyl]thiourea
SMILESCOc1cccc(NC(=S)N[C@H](C)c2ccccc2)c1
InChIInChI=1S/C16H18N2OS/c1-12(13-7-4-3-5-8-13)17-16(20)18-14-9-6-10-15(11-14)19-2/h3-12H,1-2H3,(H2,17,18,20)/t12-/m1/s1
InChIKeyDBJDNXFPVVGUHV-GFCCVEGCSA-N
XLogP3.74
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.74
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-[1-(3-methoxyphenyl)ethyl]-3-phenylthiourea
CID 19675715
1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(3-methoxyphenyl)thiourea
CID 8629064
N-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide
CID 108945966
1-[1-(2,5-dimethylphenyl)ethyl]-3-(3-methoxyphenyl)thiourea
CID 19675144
1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea
CID 27527330
1-[1-(4-butan-2-ylphenyl)propyl]-3-(3-methoxyphenyl)thiourea
CID 19675554
1-(4-acetylphenyl)-3-[(1S)-1-(3-methoxyphenyl)ethyl]thiourea
CID 970275
2-(3-methoxyanilino)-N-(1-phenylethyl)acetamide
CID 54814569
1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea
CID 1288991
1-[(1R)-1-phenylpropyl]-3-(3-propan-2-yloxyphenyl)thiourea
CID 100649697
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylthiourea
CID 92512959
1-[(1S)-1-(3-chlorophenyl)ethyl]-3-(4-methoxyphenyl)thiourea
CID 8629092

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[(1R)-1-phenylethyl]thiourea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[(1R)-1-phenylethyl]thiourea (CID 8619758) is 1-(3-methoxyphenyl)-3-[(1R)-1-phenylethyl]thiourea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[(1R)-1-phenylethyl]thiourea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[(1R)-1-phenylethyl]thiourea is COc1cccc(NC(=S)N[C@H](C)c2ccccc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[(1R)-1-phenylethyl]thiourea?
The InChIKey is DBJDNXFPVVGUHV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-12(13-7-4-3-5-8-13)17-16(20)18-14-9-6-10-15(11-14)19-2/h3-12H,1-2H3,(H2,17,18,20)/t12-/m1/s1.
What are the key properties of 1-(3-methoxyphenyl)-3-[(1R)-1-phenylethyl]thiourea?
1-(3-methoxyphenyl)-3-[(1R)-1-phenylethyl]thiourea has a molecular weight of 286.40 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[(1R)-1-phenylethyl]thiourea is sourced from PubChem (CID 8619758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).