2,3a,4,5-tetrahydro-1H-[1,3]thiazolo[5,4-b]azepine

C7H10N2S — CID 68705072

IUPAC2,3a,4,5-tetrahydro-1H-[1,3]thiazolo[5,4-b]azepine
SMILESC1=CCNC2SCNC2=C1
InChIInChI=1S/C7H10N2S/c1-2-4-8-7-6(3-1)9-5-10-7/h1-3,7-9H,4-5H2
InChIKeyKFJJEIXLAORUAS-UHFFFAOYSA-N
MW154.24 g/mol
LogP0.65
Rot. Bonds

About 2,3a,4,5-tetrahydro-1H-[1,3]thiazolo[5,4-b]azepine

2,3a,4,5-tetrahydro-1H-[1,3]thiazolo[5,4-b]azepine (PubChem CID 68705072) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 2,3a,4,5-tetrahydro-1H-[1,3]thiazolo[5,4-b]azepine.

Molecular Properties

Compound Name2,3a,4,5-tetrahydro-1H-[1,3]thiazolo[5,4-b]azepine
PubChem CID68705072
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name2,3a,4,5-tetrahydro-1H-[1,3]thiazolo[5,4-b]azepine
SMILESC1=CCNC2SCNC2=C1
InChIInChI=1S/C7H10N2S/c1-2-4-8-7-6(3-1)9-5-10-7/h1-3,7-9H,4-5H2
InChIKeyKFJJEIXLAORUAS-UHFFFAOYSA-N
XLogP0.65
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3a,4,5-tetrahydro-1H-[1,3]thiazolo[5,4-b]azepine?
The IUPAC name of 2,3a,4,5-tetrahydro-1H-[1,3]thiazolo[5,4-b]azepine (CID 68705072) is 2,3a,4,5-tetrahydro-1H-[1,3]thiazolo[5,4-b]azepine.
What is the SMILES notation for 2,3a,4,5-tetrahydro-1H-[1,3]thiazolo[5,4-b]azepine?
The canonical SMILES for 2,3a,4,5-tetrahydro-1H-[1,3]thiazolo[5,4-b]azepine is C1=CCNC2SCNC2=C1.
What is the InChIKey of 2,3a,4,5-tetrahydro-1H-[1,3]thiazolo[5,4-b]azepine?
The InChIKey is KFJJEIXLAORUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-2-4-8-7-6(3-1)9-5-10-7/h1-3,7-9H,4-5H2.
What are the key properties of 2,3a,4,5-tetrahydro-1H-[1,3]thiazolo[5,4-b]azepine?
2,3a,4,5-tetrahydro-1H-[1,3]thiazolo[5,4-b]azepine has a molecular weight of 154.24 g/mol, XLogP of 0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3a,4,5-tetrahydro-1H-[1,3]thiazolo[5,4-b]azepine is sourced from PubChem (CID 68705072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).