N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-2-propan-2-yloxyethanamine

C9H19N5OS — CID 81073772

IUPACN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-2-propan-2-yloxyethanamine
SMILESCC(C)OCCN(C)Cc1nnc(NN)s1
InChIInChI=1S/C9H19N5OS/c1-7(2)15-5-4-14(3)6-8-12-13-9(11-10)16-8/h7H,4-6,10H2,1-3H3,(H,11,13)
InChIKeyBFNIJVFAMUGSHY-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.68
Rot. Bonds7

About N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-2-propan-2-yloxyethanamine

N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-2-propan-2-yloxyethanamine (PubChem CID 81073772) has the molecular formula C9H19N5OS and a molecular weight of 245.35 g/mol. Its IUPAC name is N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound NameN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-2-propan-2-yloxyethanamine
PubChem CID81073772
Molecular FormulaC9H19N5OS
Molecular Weight245.35 g/mol
Exact Mass245.13
IUPAC NameN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-2-propan-2-yloxyethanamine
SMILESCC(C)OCCN(C)Cc1nnc(NN)s1
InChIInChI=1S/C9H19N5OS/c1-7(2)15-5-4-14(3)6-8-12-13-9(11-10)16-8/h7H,4-6,10H2,1-3H3,(H,11,13)
InChIKeyBFNIJVFAMUGSHY-UHFFFAOYSA-N
XLogP0.68
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.68
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 N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-2-propan-2-yloxyethanamine?
The IUPAC name of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-2-propan-2-yloxyethanamine (CID 81073772) is N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-2-propan-2-yloxyethanamine.
What is the SMILES notation for N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-2-propan-2-yloxyethanamine?
The canonical SMILES for N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-2-propan-2-yloxyethanamine is CC(C)OCCN(C)Cc1nnc(NN)s1.
What is the InChIKey of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-2-propan-2-yloxyethanamine?
The InChIKey is BFNIJVFAMUGSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5OS/c1-7(2)15-5-4-14(3)6-8-12-13-9(11-10)16-8/h7H,4-6,10H2,1-3H3,(H,11,13).
What are the key properties of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-2-propan-2-yloxyethanamine?
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-2-propan-2-yloxyethanamine has a molecular weight of 245.35 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-2-propan-2-yloxyethanamine is sourced from PubChem (CID 81073772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).