1-(4-bromophenyl)-3-[(2-hydroxyphenyl)methylideneamino]thiourea

C14H12BrN3OS — CID 137250213

IUPAC1-(4-bromophenyl)-3-[(2-hydroxyphenyl)methylideneamino]thiourea
SMILESOc1ccccc1C=NNC(=S)Nc1ccc(Br)cc1
InChIInChI=1S/C14H12BrN3OS/c15-11-5-7-12(8-6-11)17-14(20)18-16-9-10-3-1-2-4-13(10)19/h1-9,19H,(H2,17,18,20)
InChIKeyOIEAXCWQKLBTQR-UHFFFAOYSA-N
MW350.24 g/mol
LogP3.48
Rot. Bonds3

About 1-(4-bromophenyl)-3-[(2-hydroxyphenyl)methylideneamino]thiourea

1-(4-bromophenyl)-3-[(2-hydroxyphenyl)methylideneamino]thiourea (PubChem CID 137250213) has the molecular formula C14H12BrN3OS and a molecular weight of 350.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[(2-hydroxyphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[(2-hydroxyphenyl)methylideneamino]thiourea
PubChem CID137250213
Molecular FormulaC14H12BrN3OS
Molecular Weight350.24 g/mol
Exact Mass348.99
IUPAC Name1-(4-bromophenyl)-3-[(2-hydroxyphenyl)methylideneamino]thiourea
SMILESOc1ccccc1C=NNC(=S)Nc1ccc(Br)cc1
InChIInChI=1S/C14H12BrN3OS/c15-11-5-7-12(8-6-11)17-14(20)18-16-9-10-3-1-2-4-13(10)19/h1-9,19H,(H2,17,18,20)
InChIKeyOIEAXCWQKLBTQR-UHFFFAOYSA-N
XLogP3.48
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(4-bromophenyl)-3-[(2-hydroxyphenyl)methylideneamino]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-bis[(2-hydroxyphenyl)methylideneamino]thiourea
CID 3446799
1-[(4-bromophenyl)methylideneamino]-3-phenylthiourea
CID 909294
1-(4-bromophenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea
CID 135436225
1-[(2-hydroxy-5-methylphenyl)methylideneamino]-3-phenylthiourea
CID 137250068
N-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
CID 4530785
1-[(E)-(2-bromophenyl)methylideneamino]-3-(4-chlorophenyl)thiourea
CID 6902916
1-[(5-bromo-2-methoxyphenyl)methylideneamino]-3-phenylthiourea
CID 5150962
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 135763557
1-[(E)-[2-hydroxy-5-methyl-3-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]-3-phenylthiourea
CID 135519262
1-[(E)-(3-hydroxy-2-methoxyphenyl)methylideneamino]-3-phenylthiourea
CID 10747561
1-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamothioylamino]piperazin-1-yl]thiourea
CID 135527146
1-[(2-fluorophenyl)methylideneamino]-3-(4-methylphenyl)thiourea
CID 4980287

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[(2-hydroxyphenyl)methylideneamino]thiourea?
The IUPAC name of 1-(4-bromophenyl)-3-[(2-hydroxyphenyl)methylideneamino]thiourea (CID 137250213) is 1-(4-bromophenyl)-3-[(2-hydroxyphenyl)methylideneamino]thiourea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[(2-hydroxyphenyl)methylideneamino]thiourea?
The canonical SMILES for 1-(4-bromophenyl)-3-[(2-hydroxyphenyl)methylideneamino]thiourea is Oc1ccccc1C=NNC(=S)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[(2-hydroxyphenyl)methylideneamino]thiourea?
The InChIKey is OIEAXCWQKLBTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3OS/c15-11-5-7-12(8-6-11)17-14(20)18-16-9-10-3-1-2-4-13(10)19/h1-9,19H,(H2,17,18,20).
What are the key properties of 1-(4-bromophenyl)-3-[(2-hydroxyphenyl)methylideneamino]thiourea?
1-(4-bromophenyl)-3-[(2-hydroxyphenyl)methylideneamino]thiourea has a molecular weight of 350.24 g/mol, XLogP of 3.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[(2-hydroxyphenyl)methylideneamino]thiourea is sourced from PubChem (CID 137250213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).