1-[2-[[6-(4,5-dihydro-1-benzothiophen-2-yl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine

C22H23N3OS — CID 146631792

IUPAC1-[2-[[6-(4,5-dihydro-1-benzothiophen-2-yl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine
SMILESCc1cccc(N(C)N)c1COc1cccc(-c2cc3c(s2)C=CCC3)n1
InChIInChI=1S/C22H23N3OS/c1-15-7-5-10-19(25(2)23)17(15)14-26-22-12-6-9-18(24-22)21-13-16-8-3-4-11-20(16)27-21/h4-7,9-13H,3,8,14,23H2,1-2H3
InChIKeyFXCGBGSNGZTCJV-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.97
Rot. Bonds5

About 1-[2-[[6-(4,5-dihydro-1-benzothiophen-2-yl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine

1-[2-[[6-(4,5-dihydro-1-benzothiophen-2-yl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine (PubChem CID 146631792) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is 1-[2-[[6-(4,5-dihydro-1-benzothiophen-2-yl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[2-[[6-(4,5-dihydro-1-benzothiophen-2-yl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine
PubChem CID146631792
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name1-[2-[[6-(4,5-dihydro-1-benzothiophen-2-yl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine
SMILESCc1cccc(N(C)N)c1COc1cccc(-c2cc3c(s2)C=CCC3)n1
InChIInChI=1S/C22H23N3OS/c1-15-7-5-10-19(25(2)23)17(15)14-26-22-12-6-9-18(24-22)21-13-16-8-3-4-11-20(16)27-21/h4-7,9-13H,3,8,14,23H2,1-2H3
InChIKeyFXCGBGSNGZTCJV-UHFFFAOYSA-N
XLogP4.97
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-[2-[[6-(4,5-dihydro-1-benzothiophen-2-yl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine?
The IUPAC name of 1-[2-[[6-(4,5-dihydro-1-benzothiophen-2-yl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine (CID 146631792) is 1-[2-[[6-(4,5-dihydro-1-benzothiophen-2-yl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine.
What is the SMILES notation for 1-[2-[[6-(4,5-dihydro-1-benzothiophen-2-yl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine?
The canonical SMILES for 1-[2-[[6-(4,5-dihydro-1-benzothiophen-2-yl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine is Cc1cccc(N(C)N)c1COc1cccc(-c2cc3c(s2)C=CCC3)n1.
What is the InChIKey of 1-[2-[[6-(4,5-dihydro-1-benzothiophen-2-yl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine?
The InChIKey is FXCGBGSNGZTCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-15-7-5-10-19(25(2)23)17(15)14-26-22-12-6-9-18(24-22)21-13-16-8-3-4-11-20(16)27-21/h4-7,9-13H,3,8,14,23H2,1-2H3.
What are the key properties of 1-[2-[[6-(4,5-dihydro-1-benzothiophen-2-yl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine?
1-[2-[[6-(4,5-dihydro-1-benzothiophen-2-yl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine has a molecular weight of 377.51 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[6-(4,5-dihydro-1-benzothiophen-2-yl)-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine is sourced from PubChem (CID 146631792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).