[(5-chlorothiophen-2-yl)-(4-phenyloxan-4-yl)methyl]hydrazine

C16H19ClN2OS — CID 105217638

IUPAC[(5-chlorothiophen-2-yl)-(4-phenyloxan-4-yl)methyl]hydrazine
SMILESNNC(c1ccc(Cl)s1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C16H19ClN2OS/c17-14-7-6-13(21-14)15(19-18)16(8-10-20-11-9-16)12-4-2-1-3-5-12/h1-7,15,19H,8-11,18H2
InChIKeyOFZJERNUBPIGCW-UHFFFAOYSA-N
MW322.86 g/mol
LogP3.65
Rot. Bonds4

About [(5-chlorothiophen-2-yl)-(4-phenyloxan-4-yl)methyl]hydrazine

[(5-chlorothiophen-2-yl)-(4-phenyloxan-4-yl)methyl]hydrazine (PubChem CID 105217638) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is [(5-chlorothiophen-2-yl)-(4-phenyloxan-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-chlorothiophen-2-yl)-(4-phenyloxan-4-yl)methyl]hydrazine
PubChem CID105217638
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC Name[(5-chlorothiophen-2-yl)-(4-phenyloxan-4-yl)methyl]hydrazine
SMILESNNC(c1ccc(Cl)s1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C16H19ClN2OS/c17-14-7-6-13(21-14)15(19-18)16(8-10-20-11-9-16)12-4-2-1-3-5-12/h1-7,15,19H,8-11,18H2
InChIKeyOFZJERNUBPIGCW-UHFFFAOYSA-N
XLogP3.65
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 53.65
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

[(5-chlorothiophen-2-yl)-(1-phenylcyclohexyl)methyl]hydrazine
CID 105217569
[(5-chlorothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine
CID 105276892
[(4-phenyloxan-4-yl)-thiophen-3-ylmethyl]hydrazine
CID 105217605
[cyclohexen-1-yl-(4-phenyloxan-4-yl)methyl]hydrazine
CID 106648866
[(5-chlorothiophen-2-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]hydrazine
CID 105328233
[(1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106786785
[1-(4-phenyloxan-4-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105217651
[3,4-dihydro-2H-pyran-5-yl-(1-phenylcyclopropyl)methyl]hydrazine
CID 105217027
[(5-chlorothiophen-2-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105277901
[(1-phenylcyclopropyl)-(4-propan-2-ylphenyl)methyl]hydrazine
CID 105217227
[(4-methylphenyl)-(1-phenylcyclopentyl)methyl]hydrazine
CID 105217438
[1-benzofuran-2-yl-(1-phenylcyclopropyl)methyl]hydrazine
CID 105217239

Frequently Asked Questions

What is the IUPAC name of [(5-chlorothiophen-2-yl)-(4-phenyloxan-4-yl)methyl]hydrazine?
The IUPAC name of [(5-chlorothiophen-2-yl)-(4-phenyloxan-4-yl)methyl]hydrazine (CID 105217638) is [(5-chlorothiophen-2-yl)-(4-phenyloxan-4-yl)methyl]hydrazine.
What is the SMILES notation for [(5-chlorothiophen-2-yl)-(4-phenyloxan-4-yl)methyl]hydrazine?
The canonical SMILES for [(5-chlorothiophen-2-yl)-(4-phenyloxan-4-yl)methyl]hydrazine is NNC(c1ccc(Cl)s1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of [(5-chlorothiophen-2-yl)-(4-phenyloxan-4-yl)methyl]hydrazine?
The InChIKey is OFZJERNUBPIGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c17-14-7-6-13(21-14)15(19-18)16(8-10-20-11-9-16)12-4-2-1-3-5-12/h1-7,15,19H,8-11,18H2.
What are the key properties of [(5-chlorothiophen-2-yl)-(4-phenyloxan-4-yl)methyl]hydrazine?
[(5-chlorothiophen-2-yl)-(4-phenyloxan-4-yl)methyl]hydrazine has a molecular weight of 322.86 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-chlorothiophen-2-yl)-(4-phenyloxan-4-yl)methyl]hydrazine is sourced from PubChem (CID 105217638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).