5-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-hydroxy-3H-1,3-thiazole-2-thione

C10H8BrN3OS2 — CID 135568094

IUPAC5-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-hydroxy-3H-1,3-thiazole-2-thione
SMILESOc1[nH]c(=S)sc1/C=N/Nc1ccc(Br)cc1
InChIInChI=1S/C10H8BrN3OS2/c11-6-1-3-7(4-2-6)14-12-5-8-9(15)13-10(16)17-8/h1-5,14-15H,(H,13,16)/b12-5+
InChIKeyCYDWIHACHDERMK-LFYBBSHMSA-N
MW330.23 g/mol
LogP3.72
Rot. Bonds3

About 5-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-hydroxy-3H-1,3-thiazole-2-thione

5-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-hydroxy-3H-1,3-thiazole-2-thione (PubChem CID 135568094) has the molecular formula C10H8BrN3OS2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 5-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-hydroxy-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name5-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-hydroxy-3H-1,3-thiazole-2-thione
PubChem CID135568094
Molecular FormulaC10H8BrN3OS2
Molecular Weight330.23 g/mol
Exact Mass328.93
IUPAC Name5-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-hydroxy-3H-1,3-thiazole-2-thione
SMILESOc1[nH]c(=S)sc1/C=N/Nc1ccc(Br)cc1
InChIInChI=1S/C10H8BrN3OS2/c11-6-1-3-7(4-2-6)14-12-5-8-9(15)13-10(16)17-8/h1-5,14-15H,(H,13,16)/b12-5+
InChIKeyCYDWIHACHDERMK-LFYBBSHMSA-N
XLogP3.72
TPSA60.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-hydroxy-3H-1,3-thiazole-2-thione?
The IUPAC name of 5-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-hydroxy-3H-1,3-thiazole-2-thione (CID 135568094) is 5-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-hydroxy-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 5-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-hydroxy-3H-1,3-thiazole-2-thione?
The canonical SMILES for 5-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-hydroxy-3H-1,3-thiazole-2-thione is Oc1[nH]c(=S)sc1/C=N/Nc1ccc(Br)cc1.
What is the InChIKey of 5-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-hydroxy-3H-1,3-thiazole-2-thione?
The InChIKey is CYDWIHACHDERMK-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H8BrN3OS2/c11-6-1-3-7(4-2-6)14-12-5-8-9(15)13-10(16)17-8/h1-5,14-15H,(H,13,16)/b12-5+.
What are the key properties of 5-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-hydroxy-3H-1,3-thiazole-2-thione?
5-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-hydroxy-3H-1,3-thiazole-2-thione has a molecular weight of 330.23 g/mol, XLogP of 3.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-hydroxy-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 135568094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).