1-[1-(3-methoxyphenyl)ethyl]-3-phenylthiourea

C16H18N2OS — CID 19675715

IUPAC1-[1-(3-methoxyphenyl)ethyl]-3-phenylthiourea
SMILESCOc1cccc(C(C)NC(=S)Nc2ccccc2)c1
InChIInChI=1S/C16H18N2OS/c1-12(13-7-6-10-15(11-13)19-2)17-16(20)18-14-8-4-3-5-9-14/h3-12H,1-2H3,(H2,17,18,20)
InChIKeyLLCBZJORCGJACS-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.74
Rot. Bonds4

About 1-[1-(3-methoxyphenyl)ethyl]-3-phenylthiourea

1-[1-(3-methoxyphenyl)ethyl]-3-phenylthiourea (PubChem CID 19675715) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-[1-(3-methoxyphenyl)ethyl]-3-phenylthiourea.

Molecular Properties

Compound Name1-[1-(3-methoxyphenyl)ethyl]-3-phenylthiourea
PubChem CID19675715
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name1-[1-(3-methoxyphenyl)ethyl]-3-phenylthiourea
SMILESCOc1cccc(C(C)NC(=S)Nc2ccccc2)c1
InChIInChI=1S/C16H18N2OS/c1-12(13-7-6-10-15(11-13)19-2)17-16(20)18-14-8-4-3-5-9-14/h3-12H,1-2H3,(H2,17,18,20)
InChIKeyLLCBZJORCGJACS-UHFFFAOYSA-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'}

Analyze 1-[1-(3-methoxyphenyl)ethyl]-3-phenylthiourea 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-(3-methoxyphenyl)-3-[(1R)-1-phenylethyl]thiourea
CID 8619758
1-(4-acetylphenyl)-3-[(1S)-1-(3-methoxyphenyl)ethyl]thiourea
CID 970275
1-[(1S)-1-(3-chlorophenyl)ethyl]-3-(4-methoxyphenyl)thiourea
CID 8629092
1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea
CID 27527330
1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(3-methoxyphenyl)thiourea
CID 8629064
1-(2,4-difluorophenyl)-3-[1-(3-methoxyphenyl)ethyl]thiourea
CID 17283761
1-[1-(3,4-dimethylphenyl)ethyl]-3-phenylthiourea
CID 19674967
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81354995
1-(1-phenylethyl)-3-(4-propan-2-yloxyphenyl)thiourea
CID 133197037
1-[1-(2,5-dimethylphenyl)ethyl]-3-(3-methoxyphenyl)thiourea
CID 19675144
1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(4-methoxyphenyl)thiourea
CID 8656099
(3R)-3-(3-methoxyphenyl)-3-(pyridin-4-ylcarbamothioylamino)propanoic acid
CID 100569200

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxyphenyl)ethyl]-3-phenylthiourea?
The IUPAC name of 1-[1-(3-methoxyphenyl)ethyl]-3-phenylthiourea (CID 19675715) is 1-[1-(3-methoxyphenyl)ethyl]-3-phenylthiourea.
What is the SMILES notation for 1-[1-(3-methoxyphenyl)ethyl]-3-phenylthiourea?
The canonical SMILES for 1-[1-(3-methoxyphenyl)ethyl]-3-phenylthiourea is COc1cccc(C(C)NC(=S)Nc2ccccc2)c1.
What is the InChIKey of 1-[1-(3-methoxyphenyl)ethyl]-3-phenylthiourea?
The InChIKey is LLCBZJORCGJACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-12(13-7-6-10-15(11-13)19-2)17-16(20)18-14-8-4-3-5-9-14/h3-12H,1-2H3,(H2,17,18,20).
What are the key properties of 1-[1-(3-methoxyphenyl)ethyl]-3-phenylthiourea?
1-[1-(3-methoxyphenyl)ethyl]-3-phenylthiourea 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-[1-(3-methoxyphenyl)ethyl]-3-phenylthiourea is sourced from PubChem (CID 19675715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).