1-[(2-hydroxy-5-methoxybenzoyl)amino]-3-phenylthiourea

C15H15N3O3S — CID 143729330

IUPAC1-[(2-hydroxy-5-methoxybenzoyl)amino]-3-phenylthiourea
SMILESCOc1ccc(O)c(C(=O)NNC(=S)Nc2ccccc2)c1
InChIInChI=1S/C15H15N3O3S/c1-21-11-7-8-13(19)12(9-11)14(20)17-18-15(22)16-10-5-3-2-4-6-10/h2-9,19H,1H3,(H,17,20)(H2,16,18,22)
InChIKeyQEHXJALBHVKJJO-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.03
Rot. Bonds3

About 1-[(2-hydroxy-5-methoxybenzoyl)amino]-3-phenylthiourea

1-[(2-hydroxy-5-methoxybenzoyl)amino]-3-phenylthiourea (PubChem CID 143729330) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 1-[(2-hydroxy-5-methoxybenzoyl)amino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[(2-hydroxy-5-methoxybenzoyl)amino]-3-phenylthiourea
PubChem CID143729330
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name1-[(2-hydroxy-5-methoxybenzoyl)amino]-3-phenylthiourea
SMILESCOc1ccc(O)c(C(=O)NNC(=S)Nc2ccccc2)c1
InChIInChI=1S/C15H15N3O3S/c1-21-11-7-8-13(19)12(9-11)14(20)17-18-15(22)16-10-5-3-2-4-6-10/h2-9,19H,1H3,(H,17,20)(H2,16,18,22)
InChIKeyQEHXJALBHVKJJO-UHFFFAOYSA-N
XLogP2.03
TPSA82.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.03
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

2-(4-methoxybenzoyl)-N-phenylhydrazinecarbothioamide
CID 2306768
2-hydroxy-N-[(phenylcarbamothioyl)amino]benzamide
CID 2305168
2-(2-Methoxybenzoyl)-N-phenylhydrazinecarbothioamide
CID 700995
1-[(2-Hydroxybenzoyl)amino]-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 8462580
1-[(2-Hydroxybenzoyl)amino]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 143729355
N-(4-fluorophenyl)-2-(2-hydroxybenzoyl)hydrazinecarbothioamide
CID 681196
2-[2-(difluoromethoxy)benzoyl]-N-(4-methoxyphenyl)hydrazinecarbothioamide
CID 998449
2-[2-(difluoromethoxy)benzoyl]-N-(4-methylphenyl)hydrazinecarbothioamide
CID 998491
1-[[[2-(Difluoromethoxy)phenyl]-oxomethyl]amino]-3-(4-fluorophenyl)thiourea
CID 1000436
1-[[[2-(Difluoromethoxy)phenyl]-oxomethyl]amino]-3-(3-methylphenyl)thiourea
CID 1000490
2-[2-(difluoromethoxy)benzoyl]-N-(3-methoxyphenyl)hydrazinecarbothioamide
CID 1000547
N-(2,4-dimethylphenyl)-2-(2-hydroxybenzoyl)hydrazinecarbothioamide
CID 1252003

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-5-methoxybenzoyl)amino]-3-phenylthiourea?
The IUPAC name of 1-[(2-hydroxy-5-methoxybenzoyl)amino]-3-phenylthiourea (CID 143729330) is 1-[(2-hydroxy-5-methoxybenzoyl)amino]-3-phenylthiourea.
What is the SMILES notation for 1-[(2-hydroxy-5-methoxybenzoyl)amino]-3-phenylthiourea?
The canonical SMILES for 1-[(2-hydroxy-5-methoxybenzoyl)amino]-3-phenylthiourea is COc1ccc(O)c(C(=O)NNC(=S)Nc2ccccc2)c1.
What is the InChIKey of 1-[(2-hydroxy-5-methoxybenzoyl)amino]-3-phenylthiourea?
The InChIKey is QEHXJALBHVKJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-21-11-7-8-13(19)12(9-11)14(20)17-18-15(22)16-10-5-3-2-4-6-10/h2-9,19H,1H3,(H,17,20)(H2,16,18,22).
What are the key properties of 1-[(2-hydroxy-5-methoxybenzoyl)amino]-3-phenylthiourea?
1-[(2-hydroxy-5-methoxybenzoyl)amino]-3-phenylthiourea has a molecular weight of 317.37 g/mol, XLogP of 2.03, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-5-methoxybenzoyl)amino]-3-phenylthiourea is sourced from PubChem (CID 143729330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).