4-methyl-2-naphthalen-2-yloxybenzenecarbothioamide

C18H15NOS — CID 63519289

IUPAC4-methyl-2-naphthalen-2-yloxybenzenecarbothioamide
SMILESCc1ccc(C(N)=S)c(Oc2ccc3ccccc3c2)c1
InChIInChI=1S/C18H15NOS/c1-12-6-9-16(18(19)21)17(10-12)20-15-8-7-13-4-2-3-5-14(13)11-15/h2-11H,1H3,(H2,19,21)
InChIKeyOXEQOCJIMSOMAH-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.57
Rot. Bonds3

About 4-methyl-2-naphthalen-2-yloxybenzenecarbothioamide

4-methyl-2-naphthalen-2-yloxybenzenecarbothioamide (PubChem CID 63519289) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-methyl-2-naphthalen-2-yloxybenzenecarbothioamide.

Molecular Properties

Compound Name4-methyl-2-naphthalen-2-yloxybenzenecarbothioamide
PubChem CID63519289
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC Name4-methyl-2-naphthalen-2-yloxybenzenecarbothioamide
SMILESCc1ccc(C(N)=S)c(Oc2ccc3ccccc3c2)c1
InChIInChI=1S/C18H15NOS/c1-12-6-9-16(18(19)21)17(10-12)20-15-8-7-13-4-2-3-5-14(13)11-15/h2-11H,1H3,(H2,19,21)
InChIKeyOXEQOCJIMSOMAH-UHFFFAOYSA-N
XLogP4.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-2-naphthalen-2-yloxybenzenecarbothioamide 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

4-methyl-2-(3-methylphenoxy)benzenecarbothioamide
CID 62301443
2-(3,4-dimethylphenoxy)-4-methylbenzenecarbothioamide
CID 62301441
2-(3,5-dimethylphenoxy)-4-methylbenzenecarbothioamide
CID 55224434
2-(2-methoxyphenoxy)-4-methylbenzenecarbothioamide
CID 55057221
2-bromo-4-naphthalen-2-yloxybenzenecarbothioamide
CID 107278297
5-methyl-2-naphthalen-2-yloxyaniline
CID 26189514
4-chloro-2-(4-methylphenoxy)benzenecarbothioamide
CID 63092156
4-(2-fluoro-5-methylphenoxy)-2-methylbenzenecarbothioamide
CID 81277338
2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarbothioamide
CID 63518585
3-chloro-4-naphthalen-2-yloxybenzenecarbothioamide
CID 63519460
2-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzenecarbothioamide
CID 64600403
2-bromo-4-(2-chloro-4-methylphenoxy)benzenecarbothioamide
CID 107278376

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-naphthalen-2-yloxybenzenecarbothioamide?
The IUPAC name of 4-methyl-2-naphthalen-2-yloxybenzenecarbothioamide (CID 63519289) is 4-methyl-2-naphthalen-2-yloxybenzenecarbothioamide.
What is the SMILES notation for 4-methyl-2-naphthalen-2-yloxybenzenecarbothioamide?
The canonical SMILES for 4-methyl-2-naphthalen-2-yloxybenzenecarbothioamide is Cc1ccc(C(N)=S)c(Oc2ccc3ccccc3c2)c1.
What is the InChIKey of 4-methyl-2-naphthalen-2-yloxybenzenecarbothioamide?
The InChIKey is OXEQOCJIMSOMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS/c1-12-6-9-16(18(19)21)17(10-12)20-15-8-7-13-4-2-3-5-14(13)11-15/h2-11H,1H3,(H2,19,21).
What are the key properties of 4-methyl-2-naphthalen-2-yloxybenzenecarbothioamide?
4-methyl-2-naphthalen-2-yloxybenzenecarbothioamide has a molecular weight of 293.39 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-naphthalen-2-yloxybenzenecarbothioamide is sourced from PubChem (CID 63519289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).