[(2-fluoro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine

C16H19FN2OS — CID 105329255

IUPAC[(2-fluoro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
SMILESCOc1cccc(C(NN)c2cc3c(s2)CCCC3)c1F
InChIInChI=1S/C16H19FN2OS/c1-20-12-7-4-6-11(15(12)17)16(19-18)14-9-10-5-2-3-8-13(10)21-14/h4,6-7,9,16,19H,2-3,5,8,18H2,1H3
InChIKeyOYRLAJZHDGGDNX-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.33
Rot. Bonds4

About [(2-fluoro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine

[(2-fluoro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine (PubChem CID 105329255) has the molecular formula C16H19FN2OS and a molecular weight of 306.41 g/mol. Its IUPAC name is [(2-fluoro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-fluoro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
PubChem CID105329255
Molecular FormulaC16H19FN2OS
Molecular Weight306.41 g/mol
Exact Mass306.12
IUPAC Name[(2-fluoro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
SMILESCOc1cccc(C(NN)c2cc3c(s2)CCCC3)c1F
InChIInChI=1S/C16H19FN2OS/c1-20-12-7-4-6-11(15(12)17)16(19-18)14-9-10-5-2-3-8-13(10)21-14/h4,6-7,9,16,19H,2-3,5,8,18H2,1H3
InChIKeyOYRLAJZHDGGDNX-UHFFFAOYSA-N
XLogP3.33
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.33
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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Related Compounds

1-(2-methoxyphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 115793274
[2,3-dihydro-1H-inden-5-yl-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105329340
[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105334246
[(2-chlorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 105287303
[4,5,6,7-tetrahydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105312827
[(4-chloro-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 105328328
[(2-fluoro-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105329259
[(4-methyl-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine
CID 105320479
1-(5-chloro-2-methoxyphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 104545915
[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-ethylphenyl)methyl]hydrazine
CID 105326278
[(2-fluoro-3-methoxyphenyl)-(5-iodothiophen-3-yl)methyl]hydrazine
CID 105329391
[(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 106884546

Frequently Asked Questions

What is the IUPAC name of [(2-fluoro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine?
The IUPAC name of [(2-fluoro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine (CID 105329255) is [(2-fluoro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [(2-fluoro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [(2-fluoro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine is COc1cccc(C(NN)c2cc3c(s2)CCCC3)c1F.
What is the InChIKey of [(2-fluoro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine?
The InChIKey is OYRLAJZHDGGDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2OS/c1-20-12-7-4-6-11(15(12)17)16(19-18)14-9-10-5-2-3-8-13(10)21-14/h4,6-7,9,16,19H,2-3,5,8,18H2,1H3.
What are the key properties of [(2-fluoro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine?
[(2-fluoro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine has a molecular weight of 306.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-fluoro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 105329255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).