5-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C9H13N7S2 — CID 80931417

IUPAC5-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCc1cc(Sc2nnc(N(C)C)s2)nc(NN)n1
InChIInChI=1S/C9H13N7S2/c1-5-4-6(12-7(11-5)13-10)17-9-15-14-8(18-9)16(2)3/h4H,10H2,1-3H3,(H,11,12,13)
InChIKeyCAYSCFKLZBUPGE-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.14
Rot. Bonds4

About 5-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 80931417) has the molecular formula C9H13N7S2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 5-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID80931417
Molecular FormulaC9H13N7S2
Molecular Weight283.39 g/mol
Exact Mass283.07
IUPAC Name5-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCc1cc(Sc2nnc(N(C)C)s2)nc(NN)n1
InChIInChI=1S/C9H13N7S2/c1-5-4-6(12-7(11-5)13-10)17-9-15-14-8(18-9)16(2)3/h4H,10H2,1-3H3,(H,11,12,13)
InChIKeyCAYSCFKLZBUPGE-UHFFFAOYSA-N
XLogP1.14
TPSA92.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.14
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-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 80931417) is 5-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is Cc1cc(Sc2nnc(N(C)C)s2)nc(NN)n1.
What is the InChIKey of 5-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is CAYSCFKLZBUPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7S2/c1-5-4-6(12-7(11-5)13-10)17-9-15-14-8(18-9)16(2)3/h4H,10H2,1-3H3,(H,11,12,13).
What are the key properties of 5-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 283.39 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80931417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).