1-[(2-chlorophenyl)methyl]-3-naphthalen-1-ylthiourea

C18H15ClN2S — CID 19650053

IUPAC1-[(2-chlorophenyl)methyl]-3-naphthalen-1-ylthiourea
SMILESS=C(NCc1ccccc1Cl)Nc1cccc2ccccc12
InChIInChI=1S/C18H15ClN2S/c19-16-10-4-2-7-14(16)12-20-18(22)21-17-11-5-8-13-6-1-3-9-15(13)17/h1-11H,12H2,(H2,20,21,22)
InChIKeyVEAFCTCEPLQSSG-UHFFFAOYSA-N
MW326.85 g/mol
LogP4.98
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-3-naphthalen-1-ylthiourea

1-[(2-chlorophenyl)methyl]-3-naphthalen-1-ylthiourea (PubChem CID 19650053) has the molecular formula C18H15ClN2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-naphthalen-1-ylthiourea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-naphthalen-1-ylthiourea
PubChem CID19650053
Molecular FormulaC18H15ClN2S
Molecular Weight326.85 g/mol
Exact Mass326.06
IUPAC Name1-[(2-chlorophenyl)methyl]-3-naphthalen-1-ylthiourea
SMILESS=C(NCc1ccccc1Cl)Nc1cccc2ccccc12
InChIInChI=1S/C18H15ClN2S/c19-16-10-4-2-7-14(16)12-20-18(22)21-17-11-5-8-13-6-1-3-9-15(13)17/h1-11H,12H2,(H2,20,21,22)
InChIKeyVEAFCTCEPLQSSG-UHFFFAOYSA-N
XLogP4.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(2-chlorophenyl)methyl]-3-naphthalen-1-ylthiourea 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-naphthalen-1-yl-3-(pyridin-4-ylmethyl)thiourea
CID 2807327
2-[(2-chlorophenyl)methylamino]-N-naphthalen-1-ylacetamide
CID 3974047
1-(naphthalen-1-ylmethyl)-3-(2-phenylphenyl)thiourea
CID 3783998
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]thiourea
CID 5017956
1-[(2-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)thiourea
CID 799681
ethyl 3-[(2-chlorophenyl)methylcarbamothioylamino]-2-methylbenzoate
CID 100606790
1-(2,3-dichlorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea
CID 19649544
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
1-(2-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea
CID 2444446
1-naphthalen-1-yl-3-phenylthiourea
CID 828128
1-(2-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]thiourea
CID 23737685
1-[(2-chlorophenyl)methyl]-3-prop-2-enylthiourea
CID 5078182

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-naphthalen-1-ylthiourea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-naphthalen-1-ylthiourea (CID 19650053) is 1-[(2-chlorophenyl)methyl]-3-naphthalen-1-ylthiourea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-naphthalen-1-ylthiourea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-naphthalen-1-ylthiourea is S=C(NCc1ccccc1Cl)Nc1cccc2ccccc12.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-naphthalen-1-ylthiourea?
The InChIKey is VEAFCTCEPLQSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2S/c19-16-10-4-2-7-14(16)12-20-18(22)21-17-11-5-8-13-6-1-3-9-15(13)17/h1-11H,12H2,(H2,20,21,22).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-naphthalen-1-ylthiourea?
1-[(2-chlorophenyl)methyl]-3-naphthalen-1-ylthiourea has a molecular weight of 326.85 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-naphthalen-1-ylthiourea is sourced from PubChem (CID 19650053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).