N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine

C11H23N5OS — CID 80613272

IUPACN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine
SMILESCCC(CC)N(CCOC)Cc1nnc(NN)s1
InChIInChI=1S/C11H23N5OS/c1-4-9(5-2)16(6-7-17-3)8-10-14-15-11(13-12)18-10/h9H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyGUOFWBMUUHSWAQ-UHFFFAOYSA-N
MW273.41 g/mol
LogP1.46
Rot. Bonds9

About N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine

N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine (PubChem CID 80613272) has the molecular formula C11H23N5OS and a molecular weight of 273.41 g/mol. Its IUPAC name is N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine.

Molecular Properties

Compound NameN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine
PubChem CID80613272
Molecular FormulaC11H23N5OS
Molecular Weight273.41 g/mol
Exact Mass273.16
IUPAC NameN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine
SMILESCCC(CC)N(CCOC)Cc1nnc(NN)s1
InChIInChI=1S/C11H23N5OS/c1-4-9(5-2)16(6-7-17-3)8-10-14-15-11(13-12)18-10/h9H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyGUOFWBMUUHSWAQ-UHFFFAOYSA-N
XLogP1.46
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 51.46
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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Related Compounds

N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 80613771
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112664455
2-ethoxy-N-(2-ethoxyethyl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 82952358
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 80614479
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81073772
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine
CID 80614289
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112664466
N-(cyclopropylmethyl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]propan-2-amine
CID 80613367
5-[[ethyl(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607024
N-benzyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 80613982
3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-(2-methylpropyl)amino]propanenitrile
CID 80614069
3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-2-methylpropanenitrile
CID 80614579

Frequently Asked Questions

What is the IUPAC name of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine?
The IUPAC name of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine (CID 80613272) is N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine.
What is the SMILES notation for N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine?
The canonical SMILES for N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine is CCC(CC)N(CCOC)Cc1nnc(NN)s1.
What is the InChIKey of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine?
The InChIKey is GUOFWBMUUHSWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5OS/c1-4-9(5-2)16(6-7-17-3)8-10-14-15-11(13-12)18-10/h9H,4-8,12H2,1-3H3,(H,13,15).
What are the key properties of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine?
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine has a molecular weight of 273.41 g/mol, XLogP of 1.46, 9 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-(2-methoxyethyl)pentan-3-amine is sourced from PubChem (CID 80613272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).