3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione

C10H6Br2N2O2S2 — CID 136601613

IUPAC3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione
SMILESOc1c(Br)cc(Br)cc1C=Nn1c(O)csc1=S
InChIInChI=1S/C10H6Br2N2O2S2/c11-6-1-5(9(16)7(12)2-6)3-13-14-8(15)4-18-10(14)17/h1-4,15-16H
InChIKeyGUVLHSJTFDUERT-UHFFFAOYSA-N
MW410.11 g/mol
LogP4.10
Rot. Bonds2

About 3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione

3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione (PubChem CID 136601613) has the molecular formula C10H6Br2N2O2S2 and a molecular weight of 410.11 g/mol. Its IUPAC name is 3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione
PubChem CID136601613
Molecular FormulaC10H6Br2N2O2S2
Molecular Weight410.11 g/mol
Exact Mass407.82
IUPAC Name3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione
SMILESOc1c(Br)cc(Br)cc1C=Nn1c(O)csc1=S
InChIInChI=1S/C10H6Br2N2O2S2/c11-6-1-5(9(16)7(12)2-6)3-13-14-8(15)4-18-10(14)17/h1-4,15-16H
InChIKeyGUVLHSJTFDUERT-UHFFFAOYSA-N
XLogP4.10
TPSA57.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.11
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione?
The IUPAC name of 3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione (CID 136601613) is 3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione.
What is the SMILES notation for 3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione?
The canonical SMILES for 3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione is Oc1c(Br)cc(Br)cc1C=Nn1c(O)csc1=S.
What is the InChIKey of 3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione?
The InChIKey is GUVLHSJTFDUERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2N2O2S2/c11-6-1-5(9(16)7(12)2-6)3-13-14-8(15)4-18-10(14)17/h1-4,15-16H.
What are the key properties of 3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione?
3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione has a molecular weight of 410.11 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione is sourced from PubChem (CID 136601613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).