benzyl N'-[(2-hydroxyphenyl)methylideneamino]carbamimidothioate

C15H15N3OS — CID 172938914

IUPACbenzyl N'-[(2-hydroxyphenyl)methylideneamino]carbamimidothioate
SMILESN/C(=N/N=Cc1ccccc1O)SCc1ccccc1
InChIInChI=1S/C15H15N3OS/c16-15(20-11-12-6-2-1-3-7-12)18-17-10-13-8-4-5-9-14(13)19/h1-10,19H,11H2,(H2,16,18)
InChIKeyGAZLVEWWBRFNON-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.97
Rot. Bonds4

About benzyl N'-[(2-hydroxyphenyl)methylideneamino]carbamimidothioate

benzyl N'-[(2-hydroxyphenyl)methylideneamino]carbamimidothioate (PubChem CID 172938914) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is benzyl N'-[(2-hydroxyphenyl)methylideneamino]carbamimidothioate.

Molecular Properties

Compound Namebenzyl N'-[(2-hydroxyphenyl)methylideneamino]carbamimidothioate
PubChem CID172938914
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Namebenzyl N'-[(2-hydroxyphenyl)methylideneamino]carbamimidothioate
SMILESN/C(=N/N=Cc1ccccc1O)SCc1ccccc1
InChIInChI=1S/C15H15N3OS/c16-15(20-11-12-6-2-1-3-7-12)18-17-10-13-8-4-5-9-14(13)19/h1-10,19H,11H2,(H2,16,18)
InChIKeyGAZLVEWWBRFNON-UHFFFAOYSA-N
XLogP2.97
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]carbamimidothioate
CID 168600608
benzyl N'-[(2,4-dichloro-5-hydroxyphenyl)methylideneamino]carbamimidothioate
CID 168613276
benzyl N'-[(2-hydroxy-4,5-dimethylphenyl)methylideneamino]carbamimidothioate
CID 168611829
benzyl N'-[(2-hydroxy-5-propan-2-ylphenyl)methylideneamino]carbamimidothioate
CID 168611833
benzyl N'-[[2-(2-methylphenyl)phenyl]methylideneamino]carbamimidothioate
CID 168611776
benzyl N'-[(4-bromo-2-fluorophenyl)methylideneamino]carbamimidothioate
CID 168610956
benzyl N'-[(3,5-difluoro-2,4-dihydroxyphenyl)methylideneamino]carbamimidothioate
CID 168612501
prop-2-enyl N'-[(2-hydroxyphenyl)methylideneamino]carbamimidothioate
CID 5022451
benzyl N'-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamimidothioate
CID 168610989
benzyl N'-[(2-butoxyphenyl)methylideneamino]carbamimidothioate
CID 168612618
benzyl N'-[(4-bromo-2,3-dimethylphenyl)methylideneamino]carbamimidothioate
CID 168613776
benzyl N'-[(3-iodo-2-methoxyphenyl)methylideneamino]carbamimidothioate
CID 168613390

Frequently Asked Questions

What is the IUPAC name of benzyl N'-[(2-hydroxyphenyl)methylideneamino]carbamimidothioate?
The IUPAC name of benzyl N'-[(2-hydroxyphenyl)methylideneamino]carbamimidothioate (CID 172938914) is benzyl N'-[(2-hydroxyphenyl)methylideneamino]carbamimidothioate.
What is the SMILES notation for benzyl N'-[(2-hydroxyphenyl)methylideneamino]carbamimidothioate?
The canonical SMILES for benzyl N'-[(2-hydroxyphenyl)methylideneamino]carbamimidothioate is N/C(=N/N=Cc1ccccc1O)SCc1ccccc1.
What is the InChIKey of benzyl N'-[(2-hydroxyphenyl)methylideneamino]carbamimidothioate?
The InChIKey is GAZLVEWWBRFNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c16-15(20-11-12-6-2-1-3-7-12)18-17-10-13-8-4-5-9-14(13)19/h1-10,19H,11H2,(H2,16,18).
What are the key properties of benzyl N'-[(2-hydroxyphenyl)methylideneamino]carbamimidothioate?
benzyl N'-[(2-hydroxyphenyl)methylideneamino]carbamimidothioate has a molecular weight of 285.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N'-[(2-hydroxyphenyl)methylideneamino]carbamimidothioate is sourced from PubChem (CID 172938914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).