1-(4-acetylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea

C16H15N3O3S — CID 155547989

IUPAC1-(4-acetylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea
SMILESCC(=O)c1ccc(NC(=S)NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C16H15N3O3S/c1-10(20)11-6-8-12(9-7-11)17-16(23)19-18-15(22)13-4-2-3-5-14(13)21/h2-9,21H,1H3,(H,18,22)(H2,17,19,23)
InChIKeyFSTNHYLFSWGVPT-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.23
Rot. Bonds3

About 1-(4-acetylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea

1-(4-acetylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea (PubChem CID 155547989) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea
PubChem CID155547989
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name1-(4-acetylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea
SMILESCC(=O)c1ccc(NC(=S)NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C16H15N3O3S/c1-10(20)11-6-8-12(9-7-11)17-16(23)19-18-15(22)13-4-2-3-5-14(13)21/h2-9,21H,1H3,(H,18,22)(H2,17,19,23)
InChIKeyFSTNHYLFSWGVPT-UHFFFAOYSA-N
XLogP2.23
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-Hydroxybenzoyl)amino]-3-phenylthiourea
CID 792312
N-[N'-(2-Hydroxy-benzoyl)-hydrazinocarbothioyl]-benzamide
CID 2136521
2-hydroxy-N-[(phenylcarbamothioyl)amino]benzamide
CID 2305168
1-(3,4-Dichlorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea
CID 24424330
N-[N'-(2-Hydroxy-benzoyl)-hydrazinocarbothioyl]-4-methyl-benzamide
CID 1728282
2-(2-Methoxybenzoyl)-N-phenylhydrazinecarbothioamide
CID 700995
1-[(2-Hydroxybenzoyl)amino]-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 8462580
N-(4-chlorophenyl)-2-[(2-hydroxyphenyl)carbonyl]hydrazinecarbothioamide
CID 8669499
1-[(2-Hydroxy-5-methoxybenzoyl)amino]-3-phenylthiourea
CID 143729330
1-[(2-Hydroxybenzoyl)amino]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 143729355
N-(4-fluorophenyl)-2-(2-hydroxybenzoyl)hydrazinecarbothioamide
CID 681196
1-[(2,4-Dihydroxybenzoyl)amino]-3-(2,3-dimethylphenyl)thiourea
CID 970389

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea?
The IUPAC name of 1-(4-acetylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea (CID 155547989) is 1-(4-acetylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea is CC(=O)c1ccc(NC(=S)NNC(=O)c2ccccc2O)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea?
The InChIKey is FSTNHYLFSWGVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-10(20)11-6-8-12(9-7-11)17-16(23)19-18-15(22)13-4-2-3-5-14(13)21/h2-9,21H,1H3,(H,18,22)(H2,17,19,23).
What are the key properties of 1-(4-acetylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea?
1-(4-acetylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea has a molecular weight of 329.38 g/mol, XLogP of 2.23, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea is sourced from PubChem (CID 155547989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).