1-[(4-hydroxybenzoyl)amino]-3-phenylthiourea

C14H13N3O2S — CID 792312

IUPAC1-[(4-hydroxybenzoyl)amino]-3-phenylthiourea
SMILESO=C(NNC(=S)Nc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C14H13N3O2S/c18-12-8-6-10(7-9-12)13(19)16-17-14(20)15-11-4-2-1-3-5-11/h1-9,18H,(H,16,19)(H2,15,17,20)
InChIKeyYQIYQBBSEBSNQH-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.02
Rot. Bonds2

About 1-[(4-hydroxybenzoyl)amino]-3-phenylthiourea

1-[(4-hydroxybenzoyl)amino]-3-phenylthiourea (PubChem CID 792312) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-[(4-hydroxybenzoyl)amino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[(4-hydroxybenzoyl)amino]-3-phenylthiourea
PubChem CID792312
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name1-[(4-hydroxybenzoyl)amino]-3-phenylthiourea
SMILESO=C(NNC(=S)Nc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C14H13N3O2S/c18-12-8-6-10(7-9-12)13(19)16-17-14(20)15-11-4-2-1-3-5-11/h1-9,18H,(H,16,19)(H2,15,17,20)
InChIKeyYQIYQBBSEBSNQH-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'}

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Related Compounds

2-(4-methoxybenzoyl)-N-phenylhydrazinecarbothioamide
CID 2306768
4-hydroxy-N-phenylbenzamide
CID 564716
2-hydroxy-N-[(phenylcarbamothioyl)amino]benzamide
CID 2305168
N-(4-chlorophenyl)-2-[(2-hydroxyphenyl)carbonyl]hydrazinecarbothioamide
CID 8669499
1-[(2-Hydroxybenzoyl)amino]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 143729355
Urea, 1-benzoyl-3-(o-hydroxyphenyl)-2-thio-
CID 872065
N-(((4-Hydroxyphenyl)amino)thioxomethyl)benzamide
CID 882379
N-(4-fluorophenyl)-2-(2-hydroxybenzoyl)hydrazinecarbothioamide
CID 681196
1-[(2,4-Dihydroxybenzoyl)amino]-3-(2,3-dimethylphenyl)thiourea
CID 970389
N-(2,4-dimethylphenyl)-2-(2-hydroxybenzoyl)hydrazinecarbothioamide
CID 1252003
1-[(4-Hydroxybenzoyl)amino]-3-(2-methoxyphenyl)thiourea
CID 2477310
1-[(2-Hydroxybenzoyl)amino]-3-(4-methylphenyl)thiourea
CID 7785988

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxybenzoyl)amino]-3-phenylthiourea?
The IUPAC name of 1-[(4-hydroxybenzoyl)amino]-3-phenylthiourea (CID 792312) is 1-[(4-hydroxybenzoyl)amino]-3-phenylthiourea.
What is the SMILES notation for 1-[(4-hydroxybenzoyl)amino]-3-phenylthiourea?
The canonical SMILES for 1-[(4-hydroxybenzoyl)amino]-3-phenylthiourea is O=C(NNC(=S)Nc1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 1-[(4-hydroxybenzoyl)amino]-3-phenylthiourea?
The InChIKey is YQIYQBBSEBSNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c18-12-8-6-10(7-9-12)13(19)16-17-14(20)15-11-4-2-1-3-5-11/h1-9,18H,(H,16,19)(H2,15,17,20).
What are the key properties of 1-[(4-hydroxybenzoyl)amino]-3-phenylthiourea?
1-[(4-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-[(4-hydroxybenzoyl)amino]-3-phenylthiourea is sourced from PubChem (CID 792312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).