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

C8H17N5S2 — CID 112664466

IUPACN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)N(C)Cc1nnc(NN)s1
InChIInChI=1S/C8H17N5S2/c1-6(5-14-3)13(2)4-7-11-12-8(10-9)15-7/h6H,4-5,9H2,1-3H3,(H,10,12)
InChIKeyAXRUXFKQIMRJIY-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.01
Rot. Bonds6

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

N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine (PubChem CID 112664466) has the molecular formula C8H17N5S2 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine
PubChem CID112664466
Molecular FormulaC8H17N5S2
Molecular Weight247.39 g/mol
Exact Mass247.09
IUPAC NameN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)N(C)Cc1nnc(NN)s1
InChIInChI=1S/C8H17N5S2/c1-6(5-14-3)13(2)4-7-11-12-8(10-9)15-7/h6H,4-5,9H2,1-3H3,(H,10,12)
InChIKeyAXRUXFKQIMRJIY-UHFFFAOYSA-N
XLogP1.01
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.01
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]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112664455
5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 112664330
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-propan-2-ylpentan-1-amine
CID 80614479
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 80613771
2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-1-ol
CID 104554429
3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-2-methylpropanenitrile
CID 80614579
N-(cyclopropylmethyl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]propan-2-amine
CID 80613367
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]propan-1-ol
CID 104554428
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-(2-methoxyethyl)pentan-3-amine
CID 80613272
2-[ethyl-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]amino]-N,N-dimethylacetamide
CID 80614280

Frequently Asked Questions

What is the IUPAC name of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine?
The IUPAC name of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine (CID 112664466) is N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine.
What is the SMILES notation for N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine?
The canonical SMILES for N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine is CSCC(C)N(C)Cc1nnc(NN)s1.
What is the InChIKey of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine?
The InChIKey is AXRUXFKQIMRJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5S2/c1-6(5-14-3)13(2)4-7-11-12-8(10-9)15-7/h6H,4-5,9H2,1-3H3,(H,10,12).
What are the key properties of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine?
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine has a molecular weight of 247.39 g/mol, XLogP of 1.01, 6 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-1-methylsulfanylpropan-2-amine is sourced from PubChem (CID 112664466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).