5-(2-hydrazinylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C8H11N7S2 — CID 80931266

IUPAC5-(2-hydrazinylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(Sc2ccnc(NN)n2)s1
InChIInChI=1S/C8H11N7S2/c1-15(2)7-13-14-8(17-7)16-5-3-4-10-6(11-5)12-9/h3-4H,9H2,1-2H3,(H,10,11,12)
InChIKeyGUMSRPKZASXMCX-UHFFFAOYSA-N
MW269.36 g/mol
LogP0.83
Rot. Bonds4

About 5-(2-hydrazinylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-(2-hydrazinylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 80931266) has the molecular formula C8H11N7S2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 5-(2-hydrazinylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-hydrazinylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID80931266
Molecular FormulaC8H11N7S2
Molecular Weight269.36 g/mol
Exact Mass269.05
IUPAC Name5-(2-hydrazinylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(Sc2ccnc(NN)n2)s1
InChIInChI=1S/C8H11N7S2/c1-15(2)7-13-14-8(17-7)16-5-3-4-10-6(11-5)12-9/h3-4H,9H2,1-2H3,(H,10,11,12)
InChIKeyGUMSRPKZASXMCX-UHFFFAOYSA-N
XLogP0.83
TPSA92.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydrazinylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-hydrazinylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 80931266) is 5-(2-hydrazinylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-hydrazinylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-hydrazinylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(Sc2ccnc(NN)n2)s1.
What is the InChIKey of 5-(2-hydrazinylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is GUMSRPKZASXMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7S2/c1-15(2)7-13-14-8(17-7)16-5-3-4-10-6(11-5)12-9/h3-4H,9H2,1-2H3,(H,10,11,12).
What are the key properties of 5-(2-hydrazinylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-(2-hydrazinylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 269.36 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydrazinylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80931266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).