[5-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine

C12H15N3O3S — CID 79765829

IUPAC[5-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESCOc1cccc(OC)c1OCc1cnc(NN)s1
InChIInChI=1S/C12H15N3O3S/c1-16-9-4-3-5-10(17-2)11(9)18-7-8-6-14-12(15-13)19-8/h3-6H,7,13H2,1-2H3,(H,14,15)
InChIKeyKEAMZKFCAICMCN-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.02
Rot. Bonds6

About [5-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine

[5-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (PubChem CID 79765829) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is [5-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
PubChem CID79765829
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name[5-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESCOc1cccc(OC)c1OCc1cnc(NN)s1
InChIInChI=1S/C12H15N3O3S/c1-16-9-4-3-5-10(17-2)11(9)18-7-8-6-14-12(15-13)19-8/h3-6H,7,13H2,1-2H3,(H,14,15)
InChIKeyKEAMZKFCAICMCN-UHFFFAOYSA-N
XLogP2.02
TPSA78.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (CID 79765829) is [5-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is COc1cccc(OC)c1OCc1cnc(NN)s1.
What is the InChIKey of [5-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The InChIKey is KEAMZKFCAICMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-16-9-4-3-5-10(17-2)11(9)18-7-8-6-14-12(15-13)19-8/h3-6H,7,13H2,1-2H3,(H,14,15).
What are the key properties of [5-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
[5-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine has a molecular weight of 281.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 79765829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).