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

C11H23N5S — CID 80614479

IUPACN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(Cc1nnc(NN)s1)C(C)C
InChIInChI=1S/C11H23N5S/c1-4-5-6-7-16(9(2)3)8-10-14-15-11(13-12)17-10/h9H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyXLHOBDBAKJMDGY-UHFFFAOYSA-N
MW257.41 g/mol
LogP2.22
Rot. Bonds8

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

N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-propan-2-ylpentan-1-amine (PubChem CID 80614479) has the molecular formula C11H23N5S and a molecular weight of 257.41 g/mol. Its IUPAC name is N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound NameN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-propan-2-ylpentan-1-amine
PubChem CID80614479
Molecular FormulaC11H23N5S
Molecular Weight257.41 g/mol
Exact Mass257.17
IUPAC NameN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(Cc1nnc(NN)s1)C(C)C
InChIInChI=1S/C11H23N5S/c1-4-5-6-7-16(9(2)3)8-10-14-15-11(13-12)17-10/h9H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyXLHOBDBAKJMDGY-UHFFFAOYSA-N
XLogP2.22
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]propan-2-amine
CID 80613367
5-[[butan-2-yl(butyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80607146
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112664466
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-(2-methoxyethyl)pentan-3-amine
CID 80613272
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine
CID 80614289
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-methyl-1-methylsulfanylbutan-2-amine
CID 112664455
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81073772
N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62244577
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-propan-2-ylpentan-1-amine?
The IUPAC name of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-propan-2-ylpentan-1-amine (CID 80614479) is N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-propan-2-ylpentan-1-amine is CCCCCN(Cc1nnc(NN)s1)C(C)C.
What is the InChIKey of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-propan-2-ylpentan-1-amine?
The InChIKey is XLHOBDBAKJMDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5S/c1-4-5-6-7-16(9(2)3)8-10-14-15-11(13-12)17-10/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-propan-2-ylpentan-1-amine?
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-propan-2-ylpentan-1-amine has a molecular weight of 257.41 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 80614479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).