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

C11H17N3OS2 — CID 103360803

IUPAC5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methylsulfanyl-1,2-thiazol-3-amine
SMILESCSc1c(N)nsc1N1CCOC2CCCC21
InChIInChI=1S/C11H17N3OS2/c1-16-9-10(12)13-17-11(9)14-5-6-15-8-4-2-3-7(8)14/h7-8H,2-6H2,1H3,(H2,12,13)
InChIKeyISDXOIYQWWAHOE-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.20
Rot. Bonds2

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

5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methylsulfanyl-1,2-thiazol-3-amine (PubChem CID 103360803) has the molecular formula C11H17N3OS2 and a molecular weight of 271.41 g/mol. Its IUPAC name is 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methylsulfanyl-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methylsulfanyl-1,2-thiazol-3-amine
PubChem CID103360803
Molecular FormulaC11H17N3OS2
Molecular Weight271.41 g/mol
Exact Mass271.08
IUPAC Name5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methylsulfanyl-1,2-thiazol-3-amine
SMILESCSc1c(N)nsc1N1CCOC2CCCC21
InChIInChI=1S/C11H17N3OS2/c1-16-9-10(12)13-17-11(9)14-5-6-15-8-4-2-3-7(8)14/h7-8H,2-6H2,1H3,(H2,12,13)
InChIKeyISDXOIYQWWAHOE-UHFFFAOYSA-N
XLogP2.20
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methylsulfanyl-1,2-thiazol-3-amine with MolForge

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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)-4-methylsulfanyl-1,2-thiazol-3-amine?
The IUPAC name of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methylsulfanyl-1,2-thiazol-3-amine (CID 103360803) is 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methylsulfanyl-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methylsulfanyl-1,2-thiazol-3-amine?
The canonical SMILES for 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methylsulfanyl-1,2-thiazol-3-amine is CSc1c(N)nsc1N1CCOC2CCCC21.
What is the InChIKey of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methylsulfanyl-1,2-thiazol-3-amine?
The InChIKey is ISDXOIYQWWAHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS2/c1-16-9-10(12)13-17-11(9)14-5-6-15-8-4-2-3-7(8)14/h7-8H,2-6H2,1H3,(H2,12,13).
What are the key properties of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methylsulfanyl-1,2-thiazol-3-amine?
5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methylsulfanyl-1,2-thiazol-3-amine has a molecular weight of 271.41 g/mol, XLogP of 2.20, 2 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)-4-methylsulfanyl-1,2-thiazol-3-amine is sourced from PubChem (CID 103360803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).