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

C15H15N3O2S — CID 7785988

IUPAC1-[(2-hydroxybenzoyl)amino]-3-(4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C15H15N3O2S/c1-10-6-8-11(9-7-10)16-15(21)18-17-14(20)12-4-2-3-5-13(12)19/h2-9,19H,1H3,(H,17,20)(H2,16,18,21)
InChIKeyWZHVKTQLJNVVMJ-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.33
Rot. Bonds2

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

1-[(2-hydroxybenzoyl)amino]-3-(4-methylphenyl)thiourea (PubChem CID 7785988) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-[(2-hydroxybenzoyl)amino]-3-(4-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[(2-hydroxybenzoyl)amino]-3-(4-methylphenyl)thiourea
PubChem CID7785988
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name1-[(2-hydroxybenzoyl)amino]-3-(4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C15H15N3O2S/c1-10-6-8-11(9-7-10)16-15(21)18-17-14(20)12-4-2-3-5-13(12)19/h2-9,19H,1H3,(H,17,20)(H2,16,18,21)
InChIKeyWZHVKTQLJNVVMJ-UHFFFAOYSA-N
XLogP2.33
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.33
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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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxybenzoyl)amino]-3-(4-methylphenyl)thiourea?
The IUPAC name of 1-[(2-hydroxybenzoyl)amino]-3-(4-methylphenyl)thiourea (CID 7785988) is 1-[(2-hydroxybenzoyl)amino]-3-(4-methylphenyl)thiourea.
What is the SMILES notation for 1-[(2-hydroxybenzoyl)amino]-3-(4-methylphenyl)thiourea?
The canonical SMILES for 1-[(2-hydroxybenzoyl)amino]-3-(4-methylphenyl)thiourea is Cc1ccc(NC(=S)NNC(=O)c2ccccc2O)cc1.
What is the InChIKey of 1-[(2-hydroxybenzoyl)amino]-3-(4-methylphenyl)thiourea?
The InChIKey is WZHVKTQLJNVVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-6-8-11(9-7-10)16-15(21)18-17-14(20)12-4-2-3-5-13(12)19/h2-9,19H,1H3,(H,17,20)(H2,16,18,21).
What are the key properties of 1-[(2-hydroxybenzoyl)amino]-3-(4-methylphenyl)thiourea?
1-[(2-hydroxybenzoyl)amino]-3-(4-methylphenyl)thiourea has a molecular weight of 301.37 g/mol, XLogP of 2.33, 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-(4-methylphenyl)thiourea is sourced from PubChem (CID 7785988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).