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

C6H9N3S2 — CID 103865931

IUPACN-(thiolan-3-yl)-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NC2CCSC2)n1
InChIInChI=1S/C6H9N3S2/c1-2-10-3-5(1)9-6-7-4-8-11-6/h4-5H,1-3H2,(H,7,8,9)
InChIKeyYXRKOQNVOAKNCM-UHFFFAOYSA-N
MW187.29 g/mol
LogP1.46
Rot. Bonds2

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

N-(thiolan-3-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 103865931) has the molecular formula C6H9N3S2 and a molecular weight of 187.29 g/mol. Its IUPAC name is N-(thiolan-3-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(thiolan-3-yl)-1,2,4-thiadiazol-5-amine
PubChem CID103865931
Molecular FormulaC6H9N3S2
Molecular Weight187.29 g/mol
Exact Mass187.02
IUPAC NameN-(thiolan-3-yl)-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NC2CCSC2)n1
InChIInChI=1S/C6H9N3S2/c1-2-10-3-5(1)9-6-7-4-8-11-6/h4-5H,1-3H2,(H,7,8,9)
InChIKeyYXRKOQNVOAKNCM-UHFFFAOYSA-N
XLogP1.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(thiolan-3-yl)-1,2,4-thiadiazol-5-amine (CID 103865931) is N-(thiolan-3-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(thiolan-3-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(thiolan-3-yl)-1,2,4-thiadiazol-5-amine is c1nsc(NC2CCSC2)n1.
What is the InChIKey of N-(thiolan-3-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is YXRKOQNVOAKNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S2/c1-2-10-3-5(1)9-6-7-4-8-11-6/h4-5H,1-3H2,(H,7,8,9).
What are the key properties of N-(thiolan-3-yl)-1,2,4-thiadiazol-5-amine?
N-(thiolan-3-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 187.29 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-3-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103865931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).