1-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea

C13H10Br2N4OS — CID 136720859

IUPAC1-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea
SMILESOc1c(Br)cc(/C=N\NC(=S)Nc2cccnc2)cc1Br
InChIInChI=1S/C13H10Br2N4OS/c14-10-4-8(5-11(15)12(10)20)6-17-19-13(21)18-9-2-1-3-16-7-9/h1-7,20H,(H2,18,19,21)/b17-6-
InChIKeyCBRSEWIZZNVBHF-FMQZQXMHSA-N
MW430.13 g/mol
LogP3.63
Rot. Bonds3

About 1-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea

1-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea (PubChem CID 136720859) has the molecular formula C13H10Br2N4OS and a molecular weight of 430.13 g/mol. Its IUPAC name is 1-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea.

Molecular Properties

Compound Name1-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea
PubChem CID136720859
Molecular FormulaC13H10Br2N4OS
Molecular Weight430.13 g/mol
Exact Mass427.89
IUPAC Name1-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea
SMILESOc1c(Br)cc(/C=N\NC(=S)Nc2cccnc2)cc1Br
InChIInChI=1S/C13H10Br2N4OS/c14-10-4-8(5-11(15)12(10)20)6-17-19-13(21)18-9-2-1-3-16-7-9/h1-7,20H,(H2,18,19,21)/b17-6-
InChIKeyCBRSEWIZZNVBHF-FMQZQXMHSA-N
XLogP3.63
TPSA69.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.13
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea 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

N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135533190
methyl 3-[(pyridin-3-ylmethylideneamino)carbamothioylamino]benzoate
CID 728286
1-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 9256691
1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-pyridin-3-ylthiourea
CID 5141407
1-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-ethylthiourea
CID 135625883
1-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 9256332
1-[(4-bromophenyl)methylideneamino]-3-phenylthiourea
CID 909294
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 136858289
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 136777408
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 1124780
N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-3-yloxamide
CID 154631889
1-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-(3-fluorophenyl)thiourea
CID 135550887

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea?
The IUPAC name of 1-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea (CID 136720859) is 1-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea.
What is the SMILES notation for 1-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea?
The canonical SMILES for 1-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea is Oc1c(Br)cc(/C=N\NC(=S)Nc2cccnc2)cc1Br.
What is the InChIKey of 1-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea?
The InChIKey is CBRSEWIZZNVBHF-FMQZQXMHSA-N. The full InChI is InChI=1S/C13H10Br2N4OS/c14-10-4-8(5-11(15)12(10)20)6-17-19-13(21)18-9-2-1-3-16-7-9/h1-7,20H,(H2,18,19,21)/b17-6-.
What are the key properties of 1-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea?
1-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea has a molecular weight of 430.13 g/mol, XLogP of 3.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea is sourced from PubChem (CID 136720859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).