5-N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine

C6H10N4O2S2 — CID 66278325

IUPAC5-N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C6H10N4O2S2/c7-5-9-6(13-10-5)8-4-1-2-14(11,12)3-4/h4H,1-3H2,(H3,7,8,9,10)
InChIKeyNMDOPJCYTPODND-UHFFFAOYSA-N
MW234.31 g/mol
LogP-0.28
Rot. Bonds2

About 5-N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine

5-N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66278325) has the molecular formula C6H10N4O2S2 and a molecular weight of 234.31 g/mol. Its IUPAC name is 5-N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID66278325
Molecular FormulaC6H10N4O2S2
Molecular Weight234.31 g/mol
Exact Mass234.02
IUPAC Name5-N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C6H10N4O2S2/c7-5-9-6(13-10-5)8-4-1-2-14(11,12)3-4/h4H,1-3H2,(H3,7,8,9,10)
InChIKeyNMDOPJCYTPODND-UHFFFAOYSA-N
XLogP-0.28
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine (CID 66278325) is 5-N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine is Nc1nsc(NC2CCS(=O)(=O)C2)n1.
What is the InChIKey of 5-N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is NMDOPJCYTPODND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2S2/c7-5-9-6(13-10-5)8-4-1-2-14(11,12)3-4/h4H,1-3H2,(H3,7,8,9,10).
What are the key properties of 5-N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine?
5-N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 234.31 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66278325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).