(5-butan-2-yl-1,3,4-thiadiazol-2-yl)hydrazine

C6H12N4S — CID 45076311

IUPAC(5-butan-2-yl-1,3,4-thiadiazol-2-yl)hydrazine
SMILESCCC(C)c1nnc(NN)s1
InChIInChI=1S/C6H12N4S/c1-3-4(2)5-9-10-6(8-7)11-5/h4H,3,7H2,1-2H3,(H,8,10)
InChIKeyAIJKRVDTHAGZPP-UHFFFAOYSA-N
MW172.26 g/mol
LogP1.34
Rot. Bonds3

About (5-butan-2-yl-1,3,4-thiadiazol-2-yl)hydrazine

(5-butan-2-yl-1,3,4-thiadiazol-2-yl)hydrazine (PubChem CID 45076311) has the molecular formula C6H12N4S and a molecular weight of 172.26 g/mol. Its IUPAC name is (5-butan-2-yl-1,3,4-thiadiazol-2-yl)hydrazine.

Molecular Properties

Compound Name(5-butan-2-yl-1,3,4-thiadiazol-2-yl)hydrazine
PubChem CID45076311
Molecular FormulaC6H12N4S
Molecular Weight172.26 g/mol
Exact Mass172.08
IUPAC Name(5-butan-2-yl-1,3,4-thiadiazol-2-yl)hydrazine
SMILESCCC(C)c1nnc(NN)s1
InChIInChI=1S/C6H12N4S/c1-3-4(2)5-9-10-6(8-7)11-5/h4H,3,7H2,1-2H3,(H,8,10)
InChIKeyAIJKRVDTHAGZPP-UHFFFAOYSA-N
XLogP1.34
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614521
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112664466
(2S)-2-amino-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 119266054
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine
CID 80614289
5-pentan-2-yl-1,3,4-thiadiazol-2-amine
CID 4777940
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-propan-2-ylpentan-1-amine
CID 80614479
2-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
CID 130563536
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1086879
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-N'-propan-2-yloxamide
CID 47332757
ethyl 3-oxo-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propanoate
CID 666246
(2S)-2-amino-4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 119679541

Frequently Asked Questions

What is the IUPAC name of (5-butan-2-yl-1,3,4-thiadiazol-2-yl)hydrazine?
The IUPAC name of (5-butan-2-yl-1,3,4-thiadiazol-2-yl)hydrazine (CID 45076311) is (5-butan-2-yl-1,3,4-thiadiazol-2-yl)hydrazine.
What is the SMILES notation for (5-butan-2-yl-1,3,4-thiadiazol-2-yl)hydrazine?
The canonical SMILES for (5-butan-2-yl-1,3,4-thiadiazol-2-yl)hydrazine is CCC(C)c1nnc(NN)s1.
What is the InChIKey of (5-butan-2-yl-1,3,4-thiadiazol-2-yl)hydrazine?
The InChIKey is AIJKRVDTHAGZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S/c1-3-4(2)5-9-10-6(8-7)11-5/h4H,3,7H2,1-2H3,(H,8,10).
What are the key properties of (5-butan-2-yl-1,3,4-thiadiazol-2-yl)hydrazine?
(5-butan-2-yl-1,3,4-thiadiazol-2-yl)hydrazine has a molecular weight of 172.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butan-2-yl-1,3,4-thiadiazol-2-yl)hydrazine is sourced from PubChem (CID 45076311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).