1-[(4-methylsulfanylphenyl)methylideneamino]-3-phenylurea

C15H15N3OS — CID 807471

IUPAC1-[(4-methylsulfanylphenyl)methylideneamino]-3-phenylurea
SMILESCSc1ccc(C=NNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H15N3OS/c1-20-14-9-7-12(8-10-14)11-16-18-15(19)17-13-5-3-2-4-6-13/h2-11H,1H3,(H2,17,18,19)
InChIKeyUKMOKIRUIASGTB-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.56
Rot. Bonds4

About 1-[(4-methylsulfanylphenyl)methylideneamino]-3-phenylurea

1-[(4-methylsulfanylphenyl)methylideneamino]-3-phenylurea (PubChem CID 807471) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-[(4-methylsulfanylphenyl)methylideneamino]-3-phenylurea.

Molecular Properties

Compound Name1-[(4-methylsulfanylphenyl)methylideneamino]-3-phenylurea
PubChem CID807471
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name1-[(4-methylsulfanylphenyl)methylideneamino]-3-phenylurea
SMILESCSc1ccc(C=NNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H15N3OS/c1-20-14-9-7-12(8-10-14)11-16-18-15(19)17-13-5-3-2-4-6-13/h2-11H,1H3,(H2,17,18,19)
InChIKeyUKMOKIRUIASGTB-UHFFFAOYSA-N
XLogP3.56
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea
CID 6875641
1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 5418172
1-(benzylideneamino)-3-(4-methoxyphenyl)urea
CID 154302769
(2R)-2-[4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]propanoic acid
CID 124649475
1-[(E)-benzylideneamino]-3-pyridin-4-ylurea
CID 10243365
2-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-2-phenylacetamide;hydrochloride
CID 163329108
N-(4-fluorophenyl)-N'-[(4-methylsulfanylphenyl)methylideneamino]propanediamide
CID 4218868
N-(4-chlorophenyl)-N'-[(4-methylsulfanylphenyl)methylideneamino]propanediamide
CID 5145902
N,N'-bis[(4-methylsulfanylphenyl)methylideneamino]pentanediamide
CID 4990030
3-(4-methylsulfanylphenyl)-N-phenylprop-2-enamide
CID 4879248
1-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylideneamino]-3-phenylurea
CID 39378537
N-(4-fluorophenyl)-2-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 6091071

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylsulfanylphenyl)methylideneamino]-3-phenylurea?
The IUPAC name of 1-[(4-methylsulfanylphenyl)methylideneamino]-3-phenylurea (CID 807471) is 1-[(4-methylsulfanylphenyl)methylideneamino]-3-phenylurea.
What is the SMILES notation for 1-[(4-methylsulfanylphenyl)methylideneamino]-3-phenylurea?
The canonical SMILES for 1-[(4-methylsulfanylphenyl)methylideneamino]-3-phenylurea is CSc1ccc(C=NNC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-[(4-methylsulfanylphenyl)methylideneamino]-3-phenylurea?
The InChIKey is UKMOKIRUIASGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-20-14-9-7-12(8-10-14)11-16-18-15(19)17-13-5-3-2-4-6-13/h2-11H,1H3,(H2,17,18,19).
What are the key properties of 1-[(4-methylsulfanylphenyl)methylideneamino]-3-phenylurea?
1-[(4-methylsulfanylphenyl)methylideneamino]-3-phenylurea has a molecular weight of 285.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylsulfanylphenyl)methylideneamino]-3-phenylurea is sourced from PubChem (CID 807471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).