N-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylbenzenecarbothioamide

C15H14N2OS — CID 135446725

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylbenzenecarbothioamide
SMILESCN(/N=C/c1ccccc1O)C(=S)c1ccccc1
InChIInChI=1S/C15H14N2OS/c1-17(15(19)12-7-3-2-4-8-12)16-11-13-9-5-6-10-14(13)18/h2-11,18H,1H3/b16-11+
InChIKeyGNOWARPDNBSMLG-LFIBNONCSA-N
MW270.36 g/mol
LogP3.03
Rot. Bonds3

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylbenzenecarbothioamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylbenzenecarbothioamide (PubChem CID 135446725) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylbenzenecarbothioamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylbenzenecarbothioamide
PubChem CID135446725
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylbenzenecarbothioamide
SMILESCN(/N=C/c1ccccc1O)C(=S)c1ccccc1
InChIInChI=1S/C15H14N2OS/c1-17(15(19)12-7-3-2-4-8-12)16-11-13-9-5-6-10-14(13)18/h2-11,18H,1H3/b16-11+
InChIKeyGNOWARPDNBSMLG-LFIBNONCSA-N
XLogP3.03
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Salicylaldehyde Thiobenzoyl Hydrazone
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2-{(E)-[(1-phenylethyl)imino]methyl}phenol
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Phenol, 2-(((3,4-dihydro-2(1H)-isoquinolinyl)imino)methyl)-
CID 135770281
3-Benzyl-5-(4-hydroxyphenyl)-1,3,4-thiadiazole-2-thione
CID 135971430
Salicylal-o-hydroxybenzylamine
CID 348560
2-({[(e)-Phenylmethylidene]amino}methyl)phenol
CID 278348
2-[(E)-(dimethylhydrazinylidene)methyl]phenol
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1,1-dibenzyl-3-[(Z)-(2-hydroxyphenyl)methylideneamino]thiourea
CID 136240140

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylbenzenecarbothioamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylbenzenecarbothioamide (CID 135446725) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylbenzenecarbothioamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylbenzenecarbothioamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylbenzenecarbothioamide is CN(/N=C/c1ccccc1O)C(=S)c1ccccc1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylbenzenecarbothioamide?
The InChIKey is GNOWARPDNBSMLG-LFIBNONCSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-17(15(19)12-7-3-2-4-8-12)16-11-13-9-5-6-10-14(13)18/h2-11,18H,1H3/b16-11+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylbenzenecarbothioamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylbenzenecarbothioamide has a molecular weight of 270.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylbenzenecarbothioamide is sourced from PubChem (CID 135446725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).