[(5-chloro-1-benzofuran-2-yl)-(thian-2-yl)methyl]hydrazine

C14H17ClN2OS — CID 105255679

IUPAC[(5-chloro-1-benzofuran-2-yl)-(thian-2-yl)methyl]hydrazine
SMILESNNC(c1cc2cc(Cl)ccc2o1)C1CCCCS1
InChIInChI=1S/C14H17ClN2OS/c15-10-4-5-11-9(7-10)8-12(18-11)14(17-16)13-3-1-2-6-19-13/h4-5,7-8,13-14,17H,1-3,6,16H2
InChIKeyJELSYBQUVKTALP-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.88
Rot. Bonds3

About [(5-chloro-1-benzofuran-2-yl)-(thian-2-yl)methyl]hydrazine

[(5-chloro-1-benzofuran-2-yl)-(thian-2-yl)methyl]hydrazine (PubChem CID 105255679) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is [(5-chloro-1-benzofuran-2-yl)-(thian-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-chloro-1-benzofuran-2-yl)-(thian-2-yl)methyl]hydrazine
PubChem CID105255679
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name[(5-chloro-1-benzofuran-2-yl)-(thian-2-yl)methyl]hydrazine
SMILESNNC(c1cc2cc(Cl)ccc2o1)C1CCCCS1
InChIInChI=1S/C14H17ClN2OS/c15-10-4-5-11-9(7-10)8-12(18-11)14(17-16)13-3-1-2-6-19-13/h4-5,7-8,13-14,17H,1-3,6,16H2
InChIKeyJELSYBQUVKTALP-UHFFFAOYSA-N
XLogP3.88
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.88
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'}

Analyze [(5-chloro-1-benzofuran-2-yl)-(thian-2-yl)methyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(thiolan-2-yl)methanamine
CID 114730301
[2-bicyclo[2.2.1]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]hydrazine
CID 105266606
[(5-chloro-1-benzofuran-2-yl)-(2,2-dimethylcyclopropyl)methyl]hydrazine
CID 107005863
N-[(5-fluoro-1-benzofuran-2-yl)-(thian-2-yl)methyl]propan-1-amine
CID 114730343
[(5-chloro-1-benzofuran-2-yl)-(3,3-difluorocyclopentyl)methyl]hydrazine
CID 114217007
1-(5-chloro-1-benzofuran-2-yl)-3-cyclohexylpropan-1-amine
CID 105045741
N-[7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]ethanamine
CID 105045723
[(4-propan-2-ylphenyl)-(thian-2-yl)methyl]hydrazine
CID 105255964
1-(5-chloro-1-benzofuran-2-yl)-2-cycloheptylethanol
CID 115836585
1-(5-chloro-1-benzofuran-2-yl)-2-(thian-4-yl)ethanamine
CID 105185669
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 114729092
2-(4-chlorophenyl)-1-(thian-2-yl)ethanamine
CID 80627768

Frequently Asked Questions

What is the IUPAC name of [(5-chloro-1-benzofuran-2-yl)-(thian-2-yl)methyl]hydrazine?
The IUPAC name of [(5-chloro-1-benzofuran-2-yl)-(thian-2-yl)methyl]hydrazine (CID 105255679) is [(5-chloro-1-benzofuran-2-yl)-(thian-2-yl)methyl]hydrazine.
What is the SMILES notation for [(5-chloro-1-benzofuran-2-yl)-(thian-2-yl)methyl]hydrazine?
The canonical SMILES for [(5-chloro-1-benzofuran-2-yl)-(thian-2-yl)methyl]hydrazine is NNC(c1cc2cc(Cl)ccc2o1)C1CCCCS1.
What is the InChIKey of [(5-chloro-1-benzofuran-2-yl)-(thian-2-yl)methyl]hydrazine?
The InChIKey is JELSYBQUVKTALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c15-10-4-5-11-9(7-10)8-12(18-11)14(17-16)13-3-1-2-6-19-13/h4-5,7-8,13-14,17H,1-3,6,16H2.
What are the key properties of [(5-chloro-1-benzofuran-2-yl)-(thian-2-yl)methyl]hydrazine?
[(5-chloro-1-benzofuran-2-yl)-(thian-2-yl)methyl]hydrazine has a molecular weight of 296.82 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-chloro-1-benzofuran-2-yl)-(thian-2-yl)methyl]hydrazine is sourced from PubChem (CID 105255679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).