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

C10H16N8OS2 — CID 80920790

IUPAC5-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCCOc1nc(NN)nc(Sc2nnc(N(C)C)s2)n1
InChIInChI=1S/C10H16N8OS2/c1-4-5-19-7-12-6(15-11)13-8(14-7)20-10-17-16-9(21-10)18(2)3/h4-5,11H2,1-3H3,(H,12,13,14,15)
InChIKeyBRHIAFZBGUEOCH-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.01
Rot. Bonds7

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

5-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 80920790) has the molecular formula C10H16N8OS2 and a molecular weight of 328.43 g/mol. Its IUPAC name is 5-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID80920790
Molecular FormulaC10H16N8OS2
Molecular Weight328.43 g/mol
Exact Mass328.09
IUPAC Name5-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCCOc1nc(NN)nc(Sc2nnc(N(C)C)s2)n1
InChIInChI=1S/C10H16N8OS2/c1-4-5-19-7-12-6(15-11)13-8(14-7)20-10-17-16-9(21-10)18(2)3/h4-5,11H2,1-3H3,(H,12,13,14,15)
InChIKeyBRHIAFZBGUEOCH-UHFFFAOYSA-N
XLogP1.01
TPSA114.97 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
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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Related Compounds

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CID 80882019
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CID 80882302
CID 80882302
CID 80882638
CID 80882638
CID 80882837
CID 80882837
CID 80883839
CID 80883839
CID 80921039
CID 80921039
CID 80921255
CID 80921255
CID 80921674
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CID 80921847
CID 80921847

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 80920790) is 5-[(4-hydrazinyl-6-propoxy-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-propoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CCCOc1nc(NN)nc(Sc2nnc(N(C)C)s2)n1.
What is the InChIKey of 5-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is BRHIAFZBGUEOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N8OS2/c1-4-5-19-7-12-6(15-11)13-8(14-7)20-10-17-16-9(21-10)18(2)3/h4-5,11H2,1-3H3,(H,12,13,14,15).
What are the key properties of 5-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[(4-hydrazinyl-6-propoxy-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, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80920790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).