[(4-methyl-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine

C16H21N3S — CID 105320479

IUPAC[(4-methyl-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine
SMILESCc1ccncc1C(NN)c1cc2c(s1)CCCCC2
InChIInChI=1S/C16H21N3S/c1-11-7-8-18-10-13(11)16(19-17)15-9-12-5-3-2-4-6-14(12)20-15/h7-10,16,19H,2-6,17H2,1H3
InChIKeyVHSWBRKWWVXBIB-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.27
Rot. Bonds3

About [(4-methyl-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine

[(4-methyl-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine (PubChem CID 105320479) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is [(4-methyl-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-methyl-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine
PubChem CID105320479
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name[(4-methyl-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine
SMILESCc1ccncc1C(NN)c1cc2c(s1)CCCCC2
InChIInChI=1S/C16H21N3S/c1-11-7-8-18-10-13(11)16(19-17)15-9-12-5-3-2-4-6-14(12)20-15/h7-10,16,19H,2-6,17H2,1H3
InChIKeyVHSWBRKWWVXBIB-UHFFFAOYSA-N
XLogP3.27
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.27
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

[4,5,6,7-tetrahydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105312827
[(3-chloro-4-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine
CID 107562528
[(2-chlorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 105287303
[(4-chloro-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 105328328
[(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 106884546
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 115851983
[(2-fluoro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 105329255
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 115852483
[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105330505
[3-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentyl]hydrazine
CID 105330949
[2,3-dihydrofuran-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 102654422
[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-ethylphenyl)methyl]hydrazine
CID 105326278

Frequently Asked Questions

What is the IUPAC name of [(4-methyl-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine?
The IUPAC name of [(4-methyl-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine (CID 105320479) is [(4-methyl-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-methyl-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-methyl-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine is Cc1ccncc1C(NN)c1cc2c(s1)CCCCC2.
What is the InChIKey of [(4-methyl-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine?
The InChIKey is VHSWBRKWWVXBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-11-7-8-18-10-13(11)16(19-17)15-9-12-5-3-2-4-6-14(12)20-15/h7-10,16,19H,2-6,17H2,1H3.
What are the key properties of [(4-methyl-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine?
[(4-methyl-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine has a molecular weight of 287.43 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methyl-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 105320479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).