2,3,5,6,7,8a-hexahydro-[1,3]thiazolo[2,3-b][1,3]thiazine

C6H11NS2 — CID 21429012

IUPAC2,3,5,6,7,8a-hexahydro-[1,3]thiazolo[2,3-b][1,3]thiazine
SMILESC1CSC2SCCN2C1
InChIInChI=1S/C6H11NS2/c1-2-7-3-5-9-6(7)8-4-1/h6H,1-5H2
InChIKeyDWFHNIBQEYHZBI-UHFFFAOYSA-N
MW161.29 g/mol
LogP1.46
Rot. Bonds

About 2,3,5,6,7,8a-hexahydro-[1,3]thiazolo[2,3-b][1,3]thiazine

2,3,5,6,7,8a-hexahydro-[1,3]thiazolo[2,3-b][1,3]thiazine (PubChem CID 21429012) has the molecular formula C6H11NS2 and a molecular weight of 161.29 g/mol. Its IUPAC name is 2,3,5,6,7,8a-hexahydro-[1,3]thiazolo[2,3-b][1,3]thiazine.

Molecular Properties

Compound Name2,3,5,6,7,8a-hexahydro-[1,3]thiazolo[2,3-b][1,3]thiazine
PubChem CID21429012
Molecular FormulaC6H11NS2
Molecular Weight161.29 g/mol
Exact Mass161.03
IUPAC Name2,3,5,6,7,8a-hexahydro-[1,3]thiazolo[2,3-b][1,3]thiazine
SMILESC1CSC2SCCN2C1
InChIInChI=1S/C6H11NS2/c1-2-7-3-5-9-6(7)8-4-1/h6H,1-5H2
InChIKeyDWFHNIBQEYHZBI-UHFFFAOYSA-N
XLogP1.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7,8a-hexahydro-[1,3]thiazolo[2,3-b][1,3]thiazine?
The IUPAC name of 2,3,5,6,7,8a-hexahydro-[1,3]thiazolo[2,3-b][1,3]thiazine (CID 21429012) is 2,3,5,6,7,8a-hexahydro-[1,3]thiazolo[2,3-b][1,3]thiazine.
What is the SMILES notation for 2,3,5,6,7,8a-hexahydro-[1,3]thiazolo[2,3-b][1,3]thiazine?
The canonical SMILES for 2,3,5,6,7,8a-hexahydro-[1,3]thiazolo[2,3-b][1,3]thiazine is C1CSC2SCCN2C1.
What is the InChIKey of 2,3,5,6,7,8a-hexahydro-[1,3]thiazolo[2,3-b][1,3]thiazine?
The InChIKey is DWFHNIBQEYHZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS2/c1-2-7-3-5-9-6(7)8-4-1/h6H,1-5H2.
What are the key properties of 2,3,5,6,7,8a-hexahydro-[1,3]thiazolo[2,3-b][1,3]thiazine?
2,3,5,6,7,8a-hexahydro-[1,3]thiazolo[2,3-b][1,3]thiazine has a molecular weight of 161.29 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7,8a-hexahydro-[1,3]thiazolo[2,3-b][1,3]thiazine is sourced from PubChem (CID 21429012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).