2-(diethylamino)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine-4-thione

C9H14N4S2 — CID 650908

IUPAC2-(diethylamino)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine-4-thione
SMILESCCN(CC)c1nc2n(c(=S)n1)CCS2
InChIInChI=1S/C9H14N4S2/c1-3-12(4-2)7-10-8(14)13-5-6-15-9(13)11-7/h3-6H2,1-2H3
InChIKeyLPHTZKYBDDWSNH-UHFFFAOYSA-N
MW242.37 g/mol
LogP1.96
Rot. Bonds3

About 2-(diethylamino)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine-4-thione

2-(diethylamino)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine-4-thione (PubChem CID 650908) has the molecular formula C9H14N4S2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-(diethylamino)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine-4-thione.

Molecular Properties

Compound Name2-(diethylamino)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine-4-thione
PubChem CID650908
Molecular FormulaC9H14N4S2
Molecular Weight242.37 g/mol
Exact Mass242.07
IUPAC Name2-(diethylamino)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine-4-thione
SMILESCCN(CC)c1nc2n(c(=S)n1)CCS2
InChIInChI=1S/C9H14N4S2/c1-3-12(4-2)7-10-8(14)13-5-6-15-9(13)11-7/h3-6H2,1-2H3
InChIKeyLPHTZKYBDDWSNH-UHFFFAOYSA-N
XLogP1.96
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-6,7-dihydro-4H-[1,3]thiazolo[3,2-a][1,3,5]triazine-4-thione
CID 658365
Imidazo[1,3,5-triazine-4(6H)-thione, 2-(ethylthio)-7,8-dihydro-8-methyl-, monohydriodide
CID 367856
2-Ethylsulfanyl-8-methyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-4-thione
CID 367857

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine-4-thione?
The IUPAC name of 2-(diethylamino)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine-4-thione (CID 650908) is 2-(diethylamino)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine-4-thione.
What is the SMILES notation for 2-(diethylamino)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine-4-thione?
The canonical SMILES for 2-(diethylamino)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine-4-thione is CCN(CC)c1nc2n(c(=S)n1)CCS2.
What is the InChIKey of 2-(diethylamino)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine-4-thione?
The InChIKey is LPHTZKYBDDWSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S2/c1-3-12(4-2)7-10-8(14)13-5-6-15-9(13)11-7/h3-6H2,1-2H3.
What are the key properties of 2-(diethylamino)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine-4-thione?
2-(diethylamino)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine-4-thione has a molecular weight of 242.37 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine-4-thione is sourced from PubChem (CID 650908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).