N-ethyl-3-(thiolan-2-yl)-1,2,4-thiadiazol-5-amine

C8H13N3S2 — CID 80638484

IUPACN-ethyl-3-(thiolan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(C2CCCS2)ns1
InChIInChI=1S/C8H13N3S2/c1-2-9-8-10-7(11-13-8)6-4-3-5-12-6/h6H,2-5H2,1H3,(H,9,10,11)
InChIKeyUQEIILRPDFSXOO-UHFFFAOYSA-N
MW215.35 g/mol
LogP2.54
Rot. Bonds3

About N-ethyl-3-(thiolan-2-yl)-1,2,4-thiadiazol-5-amine

N-ethyl-3-(thiolan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 80638484) has the molecular formula C8H13N3S2 and a molecular weight of 215.35 g/mol. Its IUPAC name is N-ethyl-3-(thiolan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-(thiolan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID80638484
Molecular FormulaC8H13N3S2
Molecular Weight215.35 g/mol
Exact Mass215.06
IUPAC NameN-ethyl-3-(thiolan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(C2CCCS2)ns1
InChIInChI=1S/C8H13N3S2/c1-2-9-8-10-7(11-13-8)6-4-3-5-12-6/h6H,2-5H2,1H3,(H,9,10,11)
InChIKeyUQEIILRPDFSXOO-UHFFFAOYSA-N
XLogP2.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(thiolan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-ethyl-3-(thiolan-2-yl)-1,2,4-thiadiazol-5-amine (CID 80638484) is N-ethyl-3-(thiolan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-(thiolan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-ethyl-3-(thiolan-2-yl)-1,2,4-thiadiazol-5-amine is CCNc1nc(C2CCCS2)ns1.
What is the InChIKey of N-ethyl-3-(thiolan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is UQEIILRPDFSXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S2/c1-2-9-8-10-7(11-13-8)6-4-3-5-12-6/h6H,2-5H2,1H3,(H,9,10,11).
What are the key properties of N-ethyl-3-(thiolan-2-yl)-1,2,4-thiadiazol-5-amine?
N-ethyl-3-(thiolan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 215.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(thiolan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 80638484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).