N-(thiolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine

C7H11N3S2 — CID 80586546

IUPACN-(thiolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NCC2CCCS2)n1
InChIInChI=1S/C7H11N3S2/c1-2-6(11-3-1)4-8-7-9-5-10-12-7/h5-6H,1-4H2,(H,8,9,10)
InChIKeyOVSQLAGIUDSIOJ-UHFFFAOYSA-N
MW201.32 g/mol
LogP1.85
Rot. Bonds3

About N-(thiolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine

N-(thiolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 80586546) has the molecular formula C7H11N3S2 and a molecular weight of 201.32 g/mol. Its IUPAC name is N-(thiolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(thiolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID80586546
Molecular FormulaC7H11N3S2
Molecular Weight201.32 g/mol
Exact Mass201.04
IUPAC NameN-(thiolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NCC2CCCS2)n1
InChIInChI=1S/C7H11N3S2/c1-2-6(11-3-1)4-8-7-9-5-10-12-7/h5-6H,1-4H2,(H,8,9,10)
InChIKeyOVSQLAGIUDSIOJ-UHFFFAOYSA-N
XLogP1.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(thiolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(thiolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 80586546) is N-(thiolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(thiolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(thiolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine is c1nsc(NCC2CCCS2)n1.
What is the InChIKey of N-(thiolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is OVSQLAGIUDSIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S2/c1-2-6(11-3-1)4-8-7-9-5-10-12-7/h5-6H,1-4H2,(H,8,9,10).
What are the key properties of N-(thiolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
N-(thiolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 201.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 80586546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).