[5-(3-ethoxy-4-propoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine

C15H21N3O2S — CID 94775313

IUPAC[5-(3-ethoxy-4-propoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine
SMILESCCCOc1ccc(-c2sc(NN)nc2C)cc1OCC
InChIInChI=1S/C15H21N3O2S/c1-4-8-20-12-7-6-11(9-13(12)19-5-2)14-10(3)17-15(18-16)21-14/h6-7,9H,4-5,8,16H2,1-3H3,(H,17,18)
InChIKeyWBKIUEOWXUVSEO-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.59
Rot. Bonds7

About [5-(3-ethoxy-4-propoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine

[5-(3-ethoxy-4-propoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine (PubChem CID 94775313) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is [5-(3-ethoxy-4-propoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-(3-ethoxy-4-propoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine
PubChem CID94775313
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name[5-(3-ethoxy-4-propoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine
SMILESCCCOc1ccc(-c2sc(NN)nc2C)cc1OCC
InChIInChI=1S/C15H21N3O2S/c1-4-8-20-12-7-6-11(9-13(12)19-5-2)14-10(3)17-15(18-16)21-14/h6-7,9H,4-5,8,16H2,1-3H3,(H,17,18)
InChIKeyWBKIUEOWXUVSEO-UHFFFAOYSA-N
XLogP3.59
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(3-ethoxy-4-propoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-(3-ethoxy-4-propoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine (CID 94775313) is [5-(3-ethoxy-4-propoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-(3-ethoxy-4-propoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-(3-ethoxy-4-propoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine is CCCOc1ccc(-c2sc(NN)nc2C)cc1OCC.
What is the InChIKey of [5-(3-ethoxy-4-propoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine?
The InChIKey is WBKIUEOWXUVSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-4-8-20-12-7-6-11(9-13(12)19-5-2)14-10(3)17-15(18-16)21-14/h6-7,9H,4-5,8,16H2,1-3H3,(H,17,18).
What are the key properties of [5-(3-ethoxy-4-propoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine?
[5-(3-ethoxy-4-propoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine has a molecular weight of 307.42 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-ethoxy-4-propoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 94775313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).