[1,4-oxathian-2-yl(1,2-thiazol-5-yl)methyl]hydrazine

C8H13N3OS2 — CID 131001087

IUPAC[1,4-oxathian-2-yl(1,2-thiazol-5-yl)methyl]hydrazine
SMILESNNC(c1ccns1)C1CSCCO1
InChIInChI=1S/C8H13N3OS2/c9-11-8(7-1-2-10-14-7)6-5-13-4-3-12-6/h1-2,6,8,11H,3-5,9H2
InChIKeyDNUHSDNFWVOEEV-UHFFFAOYSA-N
MW231.35 g/mol
LogP0.78
Rot. Bonds3

About [1,4-oxathian-2-yl(1,2-thiazol-5-yl)methyl]hydrazine

[1,4-oxathian-2-yl(1,2-thiazol-5-yl)methyl]hydrazine (PubChem CID 131001087) has the molecular formula C8H13N3OS2 and a molecular weight of 231.35 g/mol. Its IUPAC name is [1,4-oxathian-2-yl(1,2-thiazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[1,4-oxathian-2-yl(1,2-thiazol-5-yl)methyl]hydrazine
PubChem CID131001087
Molecular FormulaC8H13N3OS2
Molecular Weight231.35 g/mol
Exact Mass231.05
IUPAC Name[1,4-oxathian-2-yl(1,2-thiazol-5-yl)methyl]hydrazine
SMILESNNC(c1ccns1)C1CSCCO1
InChIInChI=1S/C8H13N3OS2/c9-11-8(7-1-2-10-14-7)6-5-13-4-3-12-6/h1-2,6,8,11H,3-5,9H2
InChIKeyDNUHSDNFWVOEEV-UHFFFAOYSA-N
XLogP0.78
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 50.78
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

N-methyl-1-(1,4-oxathian-2-yl)-1-(1,2-thiazol-5-yl)methanamine
CID 131036684
[2-Methoxy-1-(1,2-thiazol-5-yl)ethyl]hydrazine
CID 131227076

Frequently Asked Questions

What is the IUPAC name of [1,4-oxathian-2-yl(1,2-thiazol-5-yl)methyl]hydrazine?
The IUPAC name of [1,4-oxathian-2-yl(1,2-thiazol-5-yl)methyl]hydrazine (CID 131001087) is [1,4-oxathian-2-yl(1,2-thiazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [1,4-oxathian-2-yl(1,2-thiazol-5-yl)methyl]hydrazine?
The canonical SMILES for [1,4-oxathian-2-yl(1,2-thiazol-5-yl)methyl]hydrazine is NNC(c1ccns1)C1CSCCO1.
What is the InChIKey of [1,4-oxathian-2-yl(1,2-thiazol-5-yl)methyl]hydrazine?
The InChIKey is DNUHSDNFWVOEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS2/c9-11-8(7-1-2-10-14-7)6-5-13-4-3-12-6/h1-2,6,8,11H,3-5,9H2.
What are the key properties of [1,4-oxathian-2-yl(1,2-thiazol-5-yl)methyl]hydrazine?
[1,4-oxathian-2-yl(1,2-thiazol-5-yl)methyl]hydrazine has a molecular weight of 231.35 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4-oxathian-2-yl(1,2-thiazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 131001087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).