[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine

C9H17N5OS — CID 80614290

IUPAC[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESCC1CN(Cc2nnc(NN)s2)CCCO1
InChIInChI=1S/C9H17N5OS/c1-7-5-14(3-2-4-15-7)6-8-12-13-9(11-10)16-8/h7H,2-6,10H2,1H3,(H,11,13)
InChIKeyOSZYGLXLLMJWCH-UHFFFAOYSA-N
MW243.34 g/mol
LogP0.43
Rot. Bonds3

About [5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine

[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine (PubChem CID 80614290) has the molecular formula C9H17N5OS and a molecular weight of 243.34 g/mol. Its IUPAC name is [5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
PubChem CID80614290
Molecular FormulaC9H17N5OS
Molecular Weight243.34 g/mol
Exact Mass243.12
IUPAC Name[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESCC1CN(Cc2nnc(NN)s2)CCCO1
InChIInChI=1S/C9H17N5OS/c1-7-5-14(3-2-4-15-7)6-8-12-13-9(11-10)16-8/h7H,2-6,10H2,1H3,(H,11,13)
InChIKeyOSZYGLXLLMJWCH-UHFFFAOYSA-N
XLogP0.43
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The IUPAC name of [5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine (CID 80614290) is [5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine is CC1CN(Cc2nnc(NN)s2)CCCO1.
What is the InChIKey of [5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The InChIKey is OSZYGLXLLMJWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5OS/c1-7-5-14(3-2-4-15-7)6-8-12-13-9(11-10)16-8/h7H,2-6,10H2,1H3,(H,11,13).
What are the key properties of [5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine has a molecular weight of 243.34 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine is sourced from PubChem (CID 80614290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).