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

C6H10N4S2 — CID 103065145

IUPAC5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NC2CCSC2)n1
InChIInChI=1S/C6H10N4S2/c7-5-9-6(12-10-5)8-4-1-2-11-3-4/h4H,1-3H2,(H3,7,8,9,10)
InChIKeyJDLVBXOIFHIXGK-UHFFFAOYSA-N
MW202.31 g/mol
LogP1.04
Rot. Bonds2

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

5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 103065145) has the molecular formula C6H10N4S2 and a molecular weight of 202.31 g/mol. Its IUPAC name is 5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID103065145
Molecular FormulaC6H10N4S2
Molecular Weight202.31 g/mol
Exact Mass202.03
IUPAC Name5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NC2CCSC2)n1
InChIInChI=1S/C6H10N4S2/c7-5-9-6(12-10-5)8-4-1-2-11-3-4/h4H,1-3H2,(H3,7,8,9,10)
InChIKeyJDLVBXOIFHIXGK-UHFFFAOYSA-N
XLogP1.04
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine (CID 103065145) is 5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine is Nc1nsc(NC2CCSC2)n1.
What is the InChIKey of 5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is JDLVBXOIFHIXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S2/c7-5-9-6(12-10-5)8-4-1-2-11-3-4/h4H,1-3H2,(H3,7,8,9,10).
What are the key properties of 5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine?
5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 202.31 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 103065145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).