N-[5-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3,4-thiadiazol-2-yl]acetamide

C11H9Br2N5O2S — CID 135821997

IUPACN-[5-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(N/N=C/c2cc(Br)cc(Br)c2O)s1
InChIInChI=1S/C11H9Br2N5O2S/c1-5(19)15-10-17-18-11(21-10)16-14-4-6-2-7(12)3-8(13)9(6)20/h2-4,20H,1H3,(H,16,18)(H,15,17,19)/b14-4+
InChIKeyUVLZQFLQGXGNID-LNKIKWGQSA-N
MW435.10 g/mol
LogP3.17
Rot. Bonds4

About N-[5-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 135821997) has the molecular formula C11H9Br2N5O2S and a molecular weight of 435.10 g/mol. Its IUPAC name is N-[5-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID135821997
Molecular FormulaC11H9Br2N5O2S
Molecular Weight435.10 g/mol
Exact Mass432.88
IUPAC NameN-[5-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(N/N=C/c2cc(Br)cc(Br)c2O)s1
InChIInChI=1S/C11H9Br2N5O2S/c1-5(19)15-10-17-18-11(21-10)16-14-4-6-2-7(12)3-8(13)9(6)20/h2-4,20H,1H3,(H,16,18)(H,15,17,19)/b14-4+
InChIKeyUVLZQFLQGXGNID-LNKIKWGQSA-N
XLogP3.17
TPSA99.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.10
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

2,4-dibromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2791064
4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 2789144
2,4-dibromo-6-[(methylhydrazinylidene)methyl]phenol;phosphoric acid
CID 136577523
2,4-dibromo-6-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]phenol
CID 136704721
2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135685050
2,4-dibromo-6-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135717168
N,N'-bis[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]heptanediamide
CID 136802008
N-(4-bromophenyl)-N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide
CID 135554311
5-[(2Z)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 136688463
2,4-dibromo-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 3601514
2,4-dibromo-6-[(E)-[[4-(1,1-difluoroethyl)phenyl]hydrazinylidene]methyl]phenol
CID 137248796
2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4,6-dibromophenol
CID 135446667

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 135821997) is N-[5-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(N/N=C/c2cc(Br)cc(Br)c2O)s1.
What is the InChIKey of N-[5-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is UVLZQFLQGXGNID-LNKIKWGQSA-N. The full InChI is InChI=1S/C11H9Br2N5O2S/c1-5(19)15-10-17-18-11(21-10)16-14-4-6-2-7(12)3-8(13)9(6)20/h2-4,20H,1H3,(H,16,18)(H,15,17,19)/b14-4+.
What are the key properties of N-[5-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 435.10 g/mol, XLogP of 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 135821997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).