1-[(2-hydroxybenzoyl)amino]-3-phenylthiourea

C14H13N3O2S — CID 2305168

IUPAC1-[(2-hydroxybenzoyl)amino]-3-phenylthiourea
SMILESO=C(NNC(=S)Nc1ccccc1)c1ccccc1O
InChIInChI=1S/C14H13N3O2S/c18-12-9-5-4-8-11(12)13(19)16-17-14(20)15-10-6-2-1-3-7-10/h1-9,18H,(H,16,19)(H2,15,17,20)
InChIKeyAZCYPCFHNBZJNB-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.02
Rot. Bonds2

About 1-[(2-hydroxybenzoyl)amino]-3-phenylthiourea

1-[(2-hydroxybenzoyl)amino]-3-phenylthiourea (PubChem CID 2305168) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-[(2-hydroxybenzoyl)amino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[(2-hydroxybenzoyl)amino]-3-phenylthiourea
PubChem CID2305168
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name1-[(2-hydroxybenzoyl)amino]-3-phenylthiourea
SMILESO=C(NNC(=S)Nc1ccccc1)c1ccccc1O
InChIInChI=1S/C14H13N3O2S/c18-12-9-5-4-8-11(12)13(19)16-17-14(20)15-10-6-2-1-3-7-10/h1-9,18H,(H,16,19)(H2,15,17,20)
InChIKeyAZCYPCFHNBZJNB-UHFFFAOYSA-N
XLogP2.02
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(2-hydroxybenzoyl)amino]-3-phenylthiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Salicylanilide
CID 6872
1-[(4-Hydroxybenzoyl)amino]-3-phenylthiourea
CID 792312
N-[N'-(2-Hydroxy-benzoyl)-hydrazinocarbothioyl]-benzamide
CID 2136521
1-(3,4-Dichlorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea
CID 24424330
N-[N'-(2-Hydroxy-benzoyl)-hydrazinocarbothioyl]-4-methyl-benzamide
CID 1728282
N1-(3-{[(ethylamino)carbothioyl]amino}phenyl)-2-hydroxybenzamide
CID 2725436
2-(2-Methoxybenzoyl)-N-phenylhydrazinecarbothioamide
CID 700995
4-Fluoro-N-[N'-(2-hydroxy-benzoyl)-hydrazinocarbothioyl]-benzamide
CID 1933071
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

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxybenzoyl)amino]-3-phenylthiourea?
The IUPAC name of 1-[(2-hydroxybenzoyl)amino]-3-phenylthiourea (CID 2305168) is 1-[(2-hydroxybenzoyl)amino]-3-phenylthiourea.
What is the SMILES notation for 1-[(2-hydroxybenzoyl)amino]-3-phenylthiourea?
The canonical SMILES for 1-[(2-hydroxybenzoyl)amino]-3-phenylthiourea is O=C(NNC(=S)Nc1ccccc1)c1ccccc1O.
What is the InChIKey of 1-[(2-hydroxybenzoyl)amino]-3-phenylthiourea?
The InChIKey is AZCYPCFHNBZJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c18-12-9-5-4-8-11(12)13(19)16-17-14(20)15-10-6-2-1-3-7-10/h1-9,18H,(H,16,19)(H2,15,17,20).
What are the key properties of 1-[(2-hydroxybenzoyl)amino]-3-phenylthiourea?
1-[(2-hydroxybenzoyl)amino]-3-phenylthiourea has a molecular weight of 287.34 g/mol, XLogP of 2.02, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxybenzoyl)amino]-3-phenylthiourea is sourced from PubChem (CID 2305168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).