[1-oxa-9-thiaspiro[5.5]undecan-4-yl(1,3-thiazol-4-yl)methyl]hydrazine

C13H21N3OS2 — CID 105254321

IUPAC[1-oxa-9-thiaspiro[5.5]undecan-4-yl(1,3-thiazol-4-yl)methyl]hydrazine
SMILESNNC(c1cscn1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C13H21N3OS2/c14-16-12(11-8-19-9-15-11)10-1-4-17-13(7-10)2-5-18-6-3-13/h8-10,12,16H,1-7,14H2
InChIKeyBCVLNFDXGHOQQW-UHFFFAOYSA-N
MW299.47 g/mol
LogP2.34
Rot. Bonds3

About [1-oxa-9-thiaspiro[5.5]undecan-4-yl(1,3-thiazol-4-yl)methyl]hydrazine

[1-oxa-9-thiaspiro[5.5]undecan-4-yl(1,3-thiazol-4-yl)methyl]hydrazine (PubChem CID 105254321) has the molecular formula C13H21N3OS2 and a molecular weight of 299.47 g/mol. Its IUPAC name is [1-oxa-9-thiaspiro[5.5]undecan-4-yl(1,3-thiazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[1-oxa-9-thiaspiro[5.5]undecan-4-yl(1,3-thiazol-4-yl)methyl]hydrazine
PubChem CID105254321
Molecular FormulaC13H21N3OS2
Molecular Weight299.47 g/mol
Exact Mass299.11
IUPAC Name[1-oxa-9-thiaspiro[5.5]undecan-4-yl(1,3-thiazol-4-yl)methyl]hydrazine
SMILESNNC(c1cscn1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C13H21N3OS2/c14-16-12(11-8-19-9-15-11)10-1-4-17-13(7-10)2-5-18-6-3-13/h8-10,12,16H,1-7,14H2
InChIKeyBCVLNFDXGHOQQW-UHFFFAOYSA-N
XLogP2.34
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.47
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-oxaspiro[3.5]nonan-8-yl(1,3-thiazol-4-yl)methyl]hydrazine
CID 105254577
[1-oxa-9-thiaspiro[5.5]undecan-4-yl(2H-triazol-4-yl)methyl]hydrazine
CID 105254675
[(5-methylpyrazin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325943
[(4-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105193247
[(2-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105252653
[(5-fluoro-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105248353
[6-oxa-2-thiaspiro[4.5]decan-9-yl(2H-triazol-4-yl)methyl]hydrazine
CID 105254731
[(3-methylimidazol-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105264573
[(3-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105326042
[(5-ethylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105326044
[(3-iodophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105326001
[(2,6-dimethyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 107504849

Frequently Asked Questions

What is the IUPAC name of [1-oxa-9-thiaspiro[5.5]undecan-4-yl(1,3-thiazol-4-yl)methyl]hydrazine?
The IUPAC name of [1-oxa-9-thiaspiro[5.5]undecan-4-yl(1,3-thiazol-4-yl)methyl]hydrazine (CID 105254321) is [1-oxa-9-thiaspiro[5.5]undecan-4-yl(1,3-thiazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [1-oxa-9-thiaspiro[5.5]undecan-4-yl(1,3-thiazol-4-yl)methyl]hydrazine?
The canonical SMILES for [1-oxa-9-thiaspiro[5.5]undecan-4-yl(1,3-thiazol-4-yl)methyl]hydrazine is NNC(c1cscn1)C1CCOC2(CCSCC2)C1.
What is the InChIKey of [1-oxa-9-thiaspiro[5.5]undecan-4-yl(1,3-thiazol-4-yl)methyl]hydrazine?
The InChIKey is BCVLNFDXGHOQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS2/c14-16-12(11-8-19-9-15-11)10-1-4-17-13(7-10)2-5-18-6-3-13/h8-10,12,16H,1-7,14H2.
What are the key properties of [1-oxa-9-thiaspiro[5.5]undecan-4-yl(1,3-thiazol-4-yl)methyl]hydrazine?
[1-oxa-9-thiaspiro[5.5]undecan-4-yl(1,3-thiazol-4-yl)methyl]hydrazine has a molecular weight of 299.47 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxa-9-thiaspiro[5.5]undecan-4-yl(1,3-thiazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105254321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).