1-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylthiourea

C19H18N2OS — CID 971903

IUPAC1-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylthiourea
SMILESCOc1ccc(C)cc1NC(=S)Nc1cccc2ccccc12
InChIInChI=1S/C19H18N2OS/c1-13-10-11-18(22-2)17(12-13)21-19(23)20-16-9-5-7-14-6-3-4-8-15(14)16/h3-12H,1-2H3,(H2,20,21,23)
InChIKeyFCAWFKCBHSIQGU-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.97
Rot. Bonds3

About 1-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylthiourea

1-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylthiourea (PubChem CID 971903) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylthiourea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylthiourea
PubChem CID971903
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylthiourea
SMILESCOc1ccc(C)cc1NC(=S)Nc1cccc2ccccc12
InChIInChI=1S/C19H18N2OS/c1-13-10-11-18(22-2)17(12-13)21-19(23)20-16-9-5-7-14-6-3-4-8-15(14)16/h3-12H,1-2H3,(H2,20,21,23)
InChIKeyFCAWFKCBHSIQGU-UHFFFAOYSA-N
XLogP4.97
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-methoxy-5-methylphenyl)-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-(2,3-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)thiourea
CID 971408
1-[5-[2-(carbamothioylamino)-4-methylphenoxy]pentyl]-3-naphthalen-1-ylthiourea
CID 87723502
1-(3-chloro-2-fluorophenyl)-3-(2-methoxy-5-methylphenyl)thiourea
CID 53488642
2-(2-methoxy-4-methylphenoxy)-N-naphthalen-1-ylacetamide
CID 2627702
1-(2-methoxy-5-methylphenyl)-3-(4-phenyldiazenylphenyl)thiourea
CID 17299667
2-(2,5-dimethylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 5207867
1-(2-methoxy-5-methylphenyl)-3-propylthiourea
CID 8627484
1-(2-methoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
CID 57398965
1-(4-methyl-2-nitrophenyl)-3-naphthalen-1-ylthiourea
CID 17380362
1-(5-hydroxynaphthalen-1-yl)-3-(2-methoxyphenyl)thiourea
CID 23765092
(E)-N-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 24592972
1-(4,6-dimethyl-2-pyridinyl)-3-naphthalen-1-ylthiourea
CID 971924

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylthiourea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylthiourea (CID 971903) is 1-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylthiourea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylthiourea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylthiourea is COc1ccc(C)cc1NC(=S)Nc1cccc2ccccc12.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylthiourea?
The InChIKey is FCAWFKCBHSIQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-13-10-11-18(22-2)17(12-13)21-19(23)20-16-9-5-7-14-6-3-4-8-15(14)16/h3-12H,1-2H3,(H2,20,21,23).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylthiourea?
1-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylthiourea has a molecular weight of 322.43 g/mol, XLogP of 4.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylthiourea is sourced from PubChem (CID 971903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).