1-(2-ethylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea

C16H17N3O2S — CID 8000945

IUPAC1-(2-ethylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea
SMILESCCc1ccccc1NC(=S)NNC(=O)c1ccccc1O
InChIInChI=1S/C16H17N3O2S/c1-2-11-7-3-5-9-13(11)17-16(22)19-18-15(21)12-8-4-6-10-14(12)20/h3-10,20H,2H2,1H3,(H,18,21)(H2,17,19,22)
InChIKeyCBWXKMUUHUWRSQ-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.59
Rot. Bonds3

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

1-(2-ethylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea (PubChem CID 8000945) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea
PubChem CID8000945
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name1-(2-ethylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea
SMILESCCc1ccccc1NC(=S)NNC(=O)c1ccccc1O
InChIInChI=1S/C16H17N3O2S/c1-2-11-7-3-5-9-13(11)17-16(22)19-18-15(21)12-8-4-6-10-14(12)20/h3-10,20H,2H2,1H3,(H,18,21)(H2,17,19,22)
InChIKeyCBWXKMUUHUWRSQ-UHFFFAOYSA-N
XLogP2.59
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.59
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

1,3-bis(2-ethylphenyl)thiourea
CID 3034485
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
1-(cyclohexanecarbonylamino)-3-(2-ethylphenyl)thiourea
CID 8000921
5-ethyl-2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide
CID 60611924
N'-(2-carbamoylphenyl)-N-(2-ethylphenyl)oxamide
CID 108529346
2-hydroxy-N'-propanoylbenzohydrazide
CID 15893878
2-hydroxy-N-(2-pentylphenyl)benzamide
CID 90027377
N-(2-ethylphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298874
5-ethyl-N'-(2-hydroxybenzoyl)thiophene-2-carbohydrazide
CID 47123757
1-(3-chlorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea
CID 155517349
N-(2-carbamothioylphenyl)-2-hydroxybenzamide
CID 24692803
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea?
The IUPAC name of 1-(2-ethylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea (CID 8000945) is 1-(2-ethylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea?
The canonical SMILES for 1-(2-ethylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea is CCc1ccccc1NC(=S)NNC(=O)c1ccccc1O.
What is the InChIKey of 1-(2-ethylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea?
The InChIKey is CBWXKMUUHUWRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-2-11-7-3-5-9-13(11)17-16(22)19-18-15(21)12-8-4-6-10-14(12)20/h3-10,20H,2H2,1H3,(H,18,21)(H2,17,19,22).
What are the key properties of 1-(2-ethylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea?
1-(2-ethylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea has a molecular weight of 315.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea is sourced from PubChem (CID 8000945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).