2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-bromo-6-ethoxyphenol

C12H13BrN4O2S — CID 168626937

IUPAC2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-bromo-6-ethoxyphenol
SMILESCCOc1cc(Br)cc(C=NNc2nc(N)cs2)c1O
InChIInChI=1S/C12H13BrN4O2S/c1-2-19-9-4-8(13)3-7(11(9)18)5-15-17-12-16-10(14)6-20-12/h3-6,18H,2,14H2,1H3,(H,16,17)
InChIKeyDKYARYLJWGMQAY-UHFFFAOYSA-N
MW357.23 g/mol
LogP3.04
Rot. Bonds5

About 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-bromo-6-ethoxyphenol

2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-bromo-6-ethoxyphenol (PubChem CID 168626937) has the molecular formula C12H13BrN4O2S and a molecular weight of 357.23 g/mol. Its IUPAC name is 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-bromo-6-ethoxyphenol.

Molecular Properties

Compound Name2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-bromo-6-ethoxyphenol
PubChem CID168626937
Molecular FormulaC12H13BrN4O2S
Molecular Weight357.23 g/mol
Exact Mass355.99
IUPAC Name2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-bromo-6-ethoxyphenol
SMILESCCOc1cc(Br)cc(C=NNc2nc(N)cs2)c1O
InChIInChI=1S/C12H13BrN4O2S/c1-2-19-9-4-8(13)3-7(11(9)18)5-15-17-12-16-10(14)6-20-12/h3-6,18H,2,14H2,1H3,(H,16,17)
InChIKeyDKYARYLJWGMQAY-UHFFFAOYSA-N
XLogP3.04
TPSA92.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 53.04
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-N-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627558
2-N-[(2,3-dibromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627563
methyl 2-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-bromo-2-ethoxyphenoxy]acetate
CID 168627654
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-ethoxy-6-prop-2-enylphenol
CID 168626655
ethyl 3-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-bromophenoxy]propanoate
CID 168627432
6-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-dibromo-3-methylphenol
CID 168626422
[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-bromo-2-ethoxyphenyl] benzoate
CID 168627621
4-bromo-2-ethoxy-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135904945
2,4-dibromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2791064
6-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxy-3,4-dimethylphenol
CID 168626439
2-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-bromo-6-ethoxyphenoxy]acetonitrile
CID 168627518
2-N-[[3-ethoxy-4-(2-methylprop-2-enoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627055

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-bromo-6-ethoxyphenol?
The IUPAC name of 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-bromo-6-ethoxyphenol (CID 168626937) is 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-bromo-6-ethoxyphenol.
What is the SMILES notation for 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-bromo-6-ethoxyphenol?
The canonical SMILES for 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-bromo-6-ethoxyphenol is CCOc1cc(Br)cc(C=NNc2nc(N)cs2)c1O.
What is the InChIKey of 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-bromo-6-ethoxyphenol?
The InChIKey is DKYARYLJWGMQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2S/c1-2-19-9-4-8(13)3-7(11(9)18)5-15-17-12-16-10(14)6-20-12/h3-6,18H,2,14H2,1H3,(H,16,17).
What are the key properties of 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-bromo-6-ethoxyphenol?
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-bromo-6-ethoxyphenol has a molecular weight of 357.23 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-bromo-6-ethoxyphenol is sourced from PubChem (CID 168626937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).