5-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C10H16N8OS2 — CID 80921039

IUPAC5-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCC(C)Oc1nc(NN)nc(Sc2nnc(N(C)C)s2)n1
InChIInChI=1S/C10H16N8OS2/c1-5(2)19-7-12-6(15-11)13-8(14-7)20-10-17-16-9(21-10)18(3)4/h5H,11H2,1-4H3,(H,12,13,14,15)
InChIKeyVOHOZCMKVYKVJZ-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.01
Rot. Bonds6

About 5-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 80921039) has the molecular formula C10H16N8OS2 and a molecular weight of 328.43 g/mol. Its IUPAC name is 5-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID80921039
Molecular FormulaC10H16N8OS2
Molecular Weight328.43 g/mol
Exact Mass328.09
IUPAC Name5-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCC(C)Oc1nc(NN)nc(Sc2nnc(N(C)C)s2)n1
InChIInChI=1S/C10H16N8OS2/c1-5(2)19-7-12-6(15-11)13-8(14-7)20-10-17-16-9(21-10)18(3)4/h5H,11H2,1-4H3,(H,12,13,14,15)
InChIKeyVOHOZCMKVYKVJZ-UHFFFAOYSA-N
XLogP1.01
TPSA114.97 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.43
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 80921039) is 5-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CC(C)Oc1nc(NN)nc(Sc2nnc(N(C)C)s2)n1.
What is the InChIKey of 5-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is VOHOZCMKVYKVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N8OS2/c1-5(2)19-7-12-6(15-11)13-8(14-7)20-10-17-16-9(21-10)18(3)4/h5H,11H2,1-4H3,(H,12,13,14,15).
What are the key properties of 5-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 328.43 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80921039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).