[2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-5-yl)methyl]hydrazine

C12H13N3OS — CID 105253927

IUPAC[2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-5-yl)methyl]hydrazine
SMILESNNC(c1ccc2c(c1)CCO2)c1cncs1
InChIInChI=1S/C12H13N3OS/c13-15-12(11-6-14-7-17-11)9-1-2-10-8(5-9)3-4-16-10/h1-2,5-7,12,15H,3-4,13H2
InChIKeyYACKESOVJRHENN-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.63
Rot. Bonds3

About [2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-5-yl)methyl]hydrazine

[2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-5-yl)methyl]hydrazine (PubChem CID 105253927) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is [2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-5-yl)methyl]hydrazine
PubChem CID105253927
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name[2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-5-yl)methyl]hydrazine
SMILESNNC(c1ccc2c(c1)CCO2)c1cncs1
InChIInChI=1S/C12H13N3OS/c13-15-12(11-6-14-7-17-11)9-1-2-10-8(5-9)3-4-16-10/h1-2,5-7,12,15H,3-4,13H2
InChIKeyYACKESOVJRHENN-UHFFFAOYSA-N
XLogP1.63
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
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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Related Compounds

[2,3-dihydro-1-benzofuran-5-yl-(4,5-dimethylthiophen-2-yl)methyl]hydrazine
CID 105333829
[(6-chloro-3-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105253191
[2,3-dihydro-1-benzofuran-5-yl-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 105333879
[2,3-dihydro-1-benzofuran-5-yl-(2-iodophenyl)methyl]hydrazine
CID 105333859
[(2-chlorofuran-3-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 106694707
[2,3-dihydro-1-benzofuran-5-yl-(2,4,5-trimethylfuran-3-yl)methyl]hydrazine
CID 105333839
[(2-chlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105211193
[(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105342182
[2,3-dihydro-1-benzofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]hydrazine
CID 105333855
[(2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 107948484
[(2,5-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105219495
[(4-methylphenyl)-(1,3-thiazol-5-yl)methyl]hydrazine
CID 105253666

Frequently Asked Questions

What is the IUPAC name of [2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-5-yl)methyl]hydrazine?
The IUPAC name of [2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-5-yl)methyl]hydrazine (CID 105253927) is [2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-5-yl)methyl]hydrazine?
The canonical SMILES for [2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-5-yl)methyl]hydrazine is NNC(c1ccc2c(c1)CCO2)c1cncs1.
What is the InChIKey of [2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-5-yl)methyl]hydrazine?
The InChIKey is YACKESOVJRHENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c13-15-12(11-6-14-7-17-11)9-1-2-10-8(5-9)3-4-16-10/h1-2,5-7,12,15H,3-4,13H2.
What are the key properties of [2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-5-yl)methyl]hydrazine?
[2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-5-yl)methyl]hydrazine has a molecular weight of 247.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105253927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).