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

C14H12ClN3O2S — CID 8669499

IUPAC1-(4-chlorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea
SMILESO=C(NNC(=S)Nc1ccc(Cl)cc1)c1ccccc1O
InChIInChI=1S/C14H12ClN3O2S/c15-9-5-7-10(8-6-9)16-14(21)18-17-13(20)11-3-1-2-4-12(11)19/h1-8,19H,(H,17,20)(H2,16,18,21)
InChIKeyJTWQTGVBHHTPJZ-UHFFFAOYSA-N
MW321.79 g/mol
LogP2.68
Rot. Bonds2

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

1-(4-chlorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea (PubChem CID 8669499) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea
PubChem CID8669499
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC Name1-(4-chlorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea
SMILESO=C(NNC(=S)Nc1ccc(Cl)cc1)c1ccccc1O
InChIInChI=1S/C14H12ClN3O2S/c15-9-5-7-10(8-6-9)16-14(21)18-17-13(20)11-3-1-2-4-12(11)19/h1-8,19H,(H,17,20)(H2,16,18,21)
InChIKeyJTWQTGVBHHTPJZ-UHFFFAOYSA-N
XLogP2.68
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 52.68
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-(4-chlorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea 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

1-(3-chlorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea
CID 155517349
1-[(2-chlorobenzoyl)amino]-3-phenylthiourea
CID 720612
1-[(5-chloro-2-hydroxybenzoyl)amino]-3-(4-fluorophenyl)thiourea
CID 9096936
1-(4-chlorophenyl)-3-[[2-(difluoromethoxy)benzoyl]amino]thiourea
CID 998417
2,4-dichloro-N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide
CID 3504913
1-(4-chlorophenyl)-3-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea
CID 9317516
1-(4-chlorophenyl)-3-(thiophene-2-carbonylamino)thiourea
CID 848929
1-(4-chlorophenyl)-3-[(4-phenoxybenzoyl)amino]thiourea
CID 9469078
1-[(4-aminobenzoyl)amino]-3-(4-chlorophenyl)thiourea
CID 125468827
1-(4-chlorophenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea
CID 3005269
1-(4-chlorophenyl)-3-[(3-ethoxynaphthalene-2-carbonyl)amino]thiourea
CID 142738438
1-[(2-bromo-4-fluorobenzoyl)amino]-3-(4-chlorophenyl)thiourea
CID 9278661

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea (CID 8669499) is 1-(4-chlorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea is O=C(NNC(=S)Nc1ccc(Cl)cc1)c1ccccc1O.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea?
The InChIKey is JTWQTGVBHHTPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c15-9-5-7-10(8-6-9)16-14(21)18-17-13(20)11-3-1-2-4-12(11)19/h1-8,19H,(H,17,20)(H2,16,18,21).
What are the key properties of 1-(4-chlorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea?
1-(4-chlorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea has a molecular weight of 321.79 g/mol, XLogP of 2.68, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea is sourced from PubChem (CID 8669499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).