5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,2,4-thiadiazol-3-amine

C9H14N4OS — CID 66279252

IUPAC5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(N2CCOC3CCCC32)n1
InChIInChI=1S/C9H14N4OS/c10-8-11-9(15-12-8)13-4-5-14-7-3-1-2-6(7)13/h6-7H,1-5H2,(H2,10,12)
InChIKeyWRTOOOWRJXIRKP-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.88
Rot. Bonds1

About 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,2,4-thiadiazol-3-amine

5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,2,4-thiadiazol-3-amine (PubChem CID 66279252) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,2,4-thiadiazol-3-amine
PubChem CID66279252
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(N2CCOC3CCCC32)n1
InChIInChI=1S/C9H14N4OS/c10-8-11-9(15-12-8)13-4-5-14-7-3-1-2-6(7)13/h6-7H,1-5H2,(H2,10,12)
InChIKeyWRTOOOWRJXIRKP-UHFFFAOYSA-N
XLogP0.88
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,2,4-thiadiazol-3-amine (CID 66279252) is 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,2,4-thiadiazol-3-amine is Nc1nsc(N2CCOC3CCCC32)n1.
What is the InChIKey of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,2,4-thiadiazol-3-amine?
The InChIKey is WRTOOOWRJXIRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c10-8-11-9(15-12-8)13-4-5-14-7-3-1-2-6(7)13/h6-7H,1-5H2,(H2,10,12).
What are the key properties of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,2,4-thiadiazol-3-amine?
5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,2,4-thiadiazol-3-amine has a molecular weight of 226.30 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 66279252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).