2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-N,N-dimethylethanamine

C7H15N5S2 — CID 80625805

IUPAC2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-N,N-dimethylethanamine
SMILESCN(C)CCSCc1nnc(NN)s1
InChIInChI=1S/C7H15N5S2/c1-12(2)3-4-13-5-6-10-11-7(9-8)14-6/h3-5,8H2,1-2H3,(H,9,11)
InChIKeyVRGYTPHKGILXGO-UHFFFAOYSA-N
MW233.37 g/mol
LogP0.62
Rot. Bonds6

About 2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-N,N-dimethylethanamine

2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-N,N-dimethylethanamine (PubChem CID 80625805) has the molecular formula C7H15N5S2 and a molecular weight of 233.37 g/mol. Its IUPAC name is 2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-N,N-dimethylethanamine
PubChem CID80625805
Molecular FormulaC7H15N5S2
Molecular Weight233.37 g/mol
Exact Mass233.08
IUPAC Name2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-N,N-dimethylethanamine
SMILESCN(C)CCSCc1nnc(NN)s1
InChIInChI=1S/C7H15N5S2/c1-12(2)3-4-13-5-6-10-11-7(9-8)14-6/h3-5,8H2,1-2H3,(H,9,11)
InChIKeyVRGYTPHKGILXGO-UHFFFAOYSA-N
XLogP0.62
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.37
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-[(5-chloro-1,3,4-thiadiazol-2-yl)methylsulfanyl]-N,N-dimethylethanamine
CID 80606144
5-[2-(diethylamino)ethylsulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80614571
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine
CID 80614289
N-methyl-5-(propylsulfanylmethyl)-1,3,4-thiadiazol-2-amine
CID 80614345
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112664466
3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-methylpropanamide
CID 106918004
2-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methylsulfanyl]-N,N-dimethylethanamine
CID 80656245
[5-[(3,4-dimethylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614812
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
2-ethoxy-N-(2-ethoxyethyl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 82952358
[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 102925881

Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-N,N-dimethylethanamine?
The IUPAC name of 2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-N,N-dimethylethanamine (CID 80625805) is 2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-N,N-dimethylethanamine is CN(C)CCSCc1nnc(NN)s1.
What is the InChIKey of 2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-N,N-dimethylethanamine?
The InChIKey is VRGYTPHKGILXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5S2/c1-12(2)3-4-13-5-6-10-11-7(9-8)14-6/h3-5,8H2,1-2H3,(H,9,11).
What are the key properties of 2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-N,N-dimethylethanamine?
2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-N,N-dimethylethanamine has a molecular weight of 233.37 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-N,N-dimethylethanamine is sourced from PubChem (CID 80625805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).