1-(2-carbamothioyl-6-methoxyphenyl)-3-phenylurea

C15H15N3O2S — CID 107468600

IUPAC1-(2-carbamothioyl-6-methoxyphenyl)-3-phenylurea
SMILESCOc1cccc(C(N)=S)c1NC(=O)Nc1ccccc1
InChIInChI=1S/C15H15N3O2S/c1-20-12-9-5-8-11(14(16)21)13(12)18-15(19)17-10-6-3-2-4-7-10/h2-9H,1H3,(H2,16,21)(H2,17,18,19)
InChIKeyGHSMAILDQRBZKG-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.97
Rot. Bonds4

About 1-(2-carbamothioyl-6-methoxyphenyl)-3-phenylurea

1-(2-carbamothioyl-6-methoxyphenyl)-3-phenylurea (PubChem CID 107468600) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-(2-carbamothioyl-6-methoxyphenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-carbamothioyl-6-methoxyphenyl)-3-phenylurea
PubChem CID107468600
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name1-(2-carbamothioyl-6-methoxyphenyl)-3-phenylurea
SMILESCOc1cccc(C(N)=S)c1NC(=O)Nc1ccccc1
InChIInChI=1S/C15H15N3O2S/c1-20-12-9-5-8-11(14(16)21)13(12)18-15(19)17-10-6-3-2-4-7-10/h2-9H,1H3,(H2,16,21)(H2,17,18,19)
InChIKeyGHSMAILDQRBZKG-UHFFFAOYSA-N
XLogP2.97
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(aminomethyl)-6-methoxyphenyl]-3-phenylurea
CID 107467314
N-(2-carbamothioyl-6-methoxyphenyl)-2-methylbutanamide
CID 107468545
N-(2-carbamothioyl-6-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107468539
1-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)urea
CID 108867766
N-(2-carbamothioyl-6-methoxyphenyl)-3-methylpentanamide
CID 107468443
N-(2-carbamothioyl-6-methoxyphenyl)-2-methylpentanamide
CID 107468418
N-(2-carbamothioyl-6-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 107468459
N-(2-carbamothioyl-6-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 107468410
1-(2,6-dimethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 108867832
N-(2-carbamothioyl-6-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 107468485
N-(2-carbamothioyl-6-methoxyphenyl)oxolane-3-carboxamide
CID 107468521
N-(2-carbamothioyl-6-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 107468519

Frequently Asked Questions

What is the IUPAC name of 1-(2-carbamothioyl-6-methoxyphenyl)-3-phenylurea?
The IUPAC name of 1-(2-carbamothioyl-6-methoxyphenyl)-3-phenylurea (CID 107468600) is 1-(2-carbamothioyl-6-methoxyphenyl)-3-phenylurea.
What is the SMILES notation for 1-(2-carbamothioyl-6-methoxyphenyl)-3-phenylurea?
The canonical SMILES for 1-(2-carbamothioyl-6-methoxyphenyl)-3-phenylurea is COc1cccc(C(N)=S)c1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-(2-carbamothioyl-6-methoxyphenyl)-3-phenylurea?
The InChIKey is GHSMAILDQRBZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-20-12-9-5-8-11(14(16)21)13(12)18-15(19)17-10-6-3-2-4-7-10/h2-9H,1H3,(H2,16,21)(H2,17,18,19).
What are the key properties of 1-(2-carbamothioyl-6-methoxyphenyl)-3-phenylurea?
1-(2-carbamothioyl-6-methoxyphenyl)-3-phenylurea has a molecular weight of 301.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carbamothioyl-6-methoxyphenyl)-3-phenylurea is sourced from PubChem (CID 107468600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).