1-(2-methylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea

C20H20N2S — CID 8657843

IUPAC1-(2-methylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
SMILESCc1ccccc1NC(=S)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C20H20N2S/c1-14-8-3-6-13-19(14)22-20(23)21-15(2)17-12-7-10-16-9-4-5-11-18(16)17/h3-13,15H,1-2H3,(H2,21,22,23)/t15-/m1/s1
InChIKeyOBONHQPAKGLHKS-OAHLLOKOSA-N
MW320.46 g/mol
LogP5.20
Rot. Bonds3

About 1-(2-methylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea

1-(2-methylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea (PubChem CID 8657843) has the molecular formula C20H20N2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
PubChem CID8657843
Molecular FormulaC20H20N2S
Molecular Weight320.46 g/mol
Exact Mass320.13
IUPAC Name1-(2-methylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
SMILESCc1ccccc1NC(=S)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C20H20N2S/c1-14-8-3-6-13-19(14)22-20(23)21-15(2)17-12-7-10-16-9-4-5-11-18(16)17/h3-13,15H,1-2H3,(H2,21,22,23)/t15-/m1/s1
InChIKeyOBONHQPAKGLHKS-OAHLLOKOSA-N
XLogP5.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.46
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-methylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea 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-(2,3-dimethylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657853
1-(4-methylphenyl)-3-[(1S)-1-naphthalen-1-ylethyl]thiourea
CID 8657829
1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2-methylphenyl)thiourea
CID 8629060
2-methyl-N-(1-naphthalen-1-ylethyl)aniline
CID 43103327
1-naphthalen-1-yl-3-[(1S)-1-phenylethyl]thiourea
CID 40546386
1-(4-methoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657834
1-[(1S)-1-naphthalen-1-ylethyl]-3-pyridin-2-ylthiourea
CID 3003559
1-(2-methylphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675461
1-(4-ethoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657836
1-[2-(dimethylamino)ethyl]-3-[(1S)-1-naphthalen-1-ylethyl]thiourea
CID 8724859
1-(2-methoxyethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8724827
1-(2-ethoxyphenyl)-3-[1-(2-methylphenyl)ethyl]thiourea
CID 133207092

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea?
The IUPAC name of 1-(2-methylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea (CID 8657843) is 1-(2-methylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea.
What is the SMILES notation for 1-(2-methylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea?
The canonical SMILES for 1-(2-methylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea is Cc1ccccc1NC(=S)N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of 1-(2-methylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea?
The InChIKey is OBONHQPAKGLHKS-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20N2S/c1-14-8-3-6-13-19(14)22-20(23)21-15(2)17-12-7-10-16-9-4-5-11-18(16)17/h3-13,15H,1-2H3,(H2,21,22,23)/t15-/m1/s1.
What are the key properties of 1-(2-methylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea?
1-(2-methylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea has a molecular weight of 320.46 g/mol, XLogP of 5.20, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea is sourced from PubChem (CID 8657843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).