1-[(4-bromophenyl)methylideneamino]-3-phenylthiourea

C14H12BrN3S — CID 909294

IUPAC1-[(4-bromophenyl)methylideneamino]-3-phenylthiourea
SMILESS=C(NN=Cc1ccc(Br)cc1)Nc1ccccc1
InChIInChI=1S/C14H12BrN3S/c15-12-8-6-11(7-9-12)10-16-18-14(19)17-13-4-2-1-3-5-13/h1-10H,(H2,17,18,19)
InChIKeyUNRCIHJSZOVARZ-UHFFFAOYSA-N
MW334.24 g/mol
LogP3.77
Rot. Bonds3

About 1-[(4-bromophenyl)methylideneamino]-3-phenylthiourea

1-[(4-bromophenyl)methylideneamino]-3-phenylthiourea (PubChem CID 909294) has the molecular formula C14H12BrN3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methylideneamino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[(4-bromophenyl)methylideneamino]-3-phenylthiourea
PubChem CID909294
Molecular FormulaC14H12BrN3S
Molecular Weight334.24 g/mol
Exact Mass332.99
IUPAC Name1-[(4-bromophenyl)methylideneamino]-3-phenylthiourea
SMILESS=C(NN=Cc1ccc(Br)cc1)Nc1ccccc1
InChIInChI=1S/C14H12BrN3S/c15-12-8-6-11(7-9-12)10-16-18-14(19)17-13-4-2-1-3-5-13/h1-10H,(H2,17,18,19)
InChIKeyUNRCIHJSZOVARZ-UHFFFAOYSA-N
XLogP3.77
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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)methylideneamino]-3-phenylthiourea 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-(4-bromophenyl)-3-[(2-hydroxyphenyl)methylideneamino]thiourea
CID 137250213
1-[(E)-(4-ethylphenyl)methylideneamino]-3-phenylthiourea
CID 7264044
1-[(E)-[4-(4-bromophenoxy)phenyl]methylideneamino]-3-(4-methylphenyl)thiourea
CID 71698871
1-(4-bromophenyl)-3-[(E)-[4-(4-methylphenoxy)phenyl]methylideneamino]thiourea
CID 56970998
1-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-phenylthiourea
CID 136786868
1-[(E)-(4-nitrophenyl)methylideneamino]-3-phenylthiourea
CID 6864430
methyl 3-[[(4-bromophenyl)methylideneamino]carbamothioylamino]benzoate
CID 1270917
1-[(4-bromophenyl)methylideneamino]-3-(3,4-dimethoxyphenyl)thiourea
CID 4592343
1-[(Z)-(3-fluorophenyl)methylideneamino]-3-phenylthiourea
CID 6240099
1-(4-fluorophenyl)-3-[(E)-(4-phenoxyphenyl)methylideneamino]thiourea
CID 56971231
1-[(E)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-3-phenylthiourea
CID 110508566
1-[(5-bromo-2-methoxyphenyl)methylideneamino]-3-phenylthiourea
CID 5150962

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methylideneamino]-3-phenylthiourea?
The IUPAC name of 1-[(4-bromophenyl)methylideneamino]-3-phenylthiourea (CID 909294) is 1-[(4-bromophenyl)methylideneamino]-3-phenylthiourea.
What is the SMILES notation for 1-[(4-bromophenyl)methylideneamino]-3-phenylthiourea?
The canonical SMILES for 1-[(4-bromophenyl)methylideneamino]-3-phenylthiourea is S=C(NN=Cc1ccc(Br)cc1)Nc1ccccc1.
What is the InChIKey of 1-[(4-bromophenyl)methylideneamino]-3-phenylthiourea?
The InChIKey is UNRCIHJSZOVARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3S/c15-12-8-6-11(7-9-12)10-16-18-14(19)17-13-4-2-1-3-5-13/h1-10H,(H2,17,18,19).
What are the key properties of 1-[(4-bromophenyl)methylideneamino]-3-phenylthiourea?
1-[(4-bromophenyl)methylideneamino]-3-phenylthiourea has a molecular weight of 334.24 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methylideneamino]-3-phenylthiourea is sourced from PubChem (CID 909294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).