[(3-ethylthiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine

C16H18N2OS — CID 105338360

IUPAC[(3-ethylthiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
SMILESCCc1ccsc1C(NN)c1cc2cccc(C)c2o1
InChIInChI=1S/C16H18N2OS/c1-3-11-7-8-20-16(11)14(18-17)13-9-12-6-4-5-10(2)15(12)19-13/h4-9,14,18H,3,17H2,1-2H3
InChIKeyCXGXWGOCFATYPS-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.92
Rot. Bonds4

About [(3-ethylthiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine

[(3-ethylthiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine (PubChem CID 105338360) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is [(3-ethylthiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-ethylthiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
PubChem CID105338360
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name[(3-ethylthiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
SMILESCCc1ccsc1C(NN)c1cc2cccc(C)c2o1
InChIInChI=1S/C16H18N2OS/c1-3-11-7-8-20-16(11)14(18-17)13-9-12-6-4-5-10(2)15(12)19-13/h4-9,14,18H,3,17H2,1-2H3
InChIKeyCXGXWGOCFATYPS-UHFFFAOYSA-N
XLogP3.92
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [(3-ethylthiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine?
The IUPAC name of [(3-ethylthiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine (CID 105338360) is [(3-ethylthiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3-ethylthiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine?
The canonical SMILES for [(3-ethylthiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine is CCc1ccsc1C(NN)c1cc2cccc(C)c2o1.
What is the InChIKey of [(3-ethylthiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine?
The InChIKey is CXGXWGOCFATYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-3-11-7-8-20-16(11)14(18-17)13-9-12-6-4-5-10(2)15(12)19-13/h4-9,14,18H,3,17H2,1-2H3.
What are the key properties of [(3-ethylthiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine?
[(3-ethylthiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine has a molecular weight of 286.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-ethylthiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine is sourced from PubChem (CID 105338360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).