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

C7H6N2S — CID 68680228

IUPAC2H-[1,3]thiazolo[5,4-b]azepine
SMILESC1=CN=C2SCN=C2C=C1
InChIInChI=1S/C7H6N2S/c1-2-4-8-7-6(3-1)9-5-10-7/h1-4H,5H2
InChIKeyWRDQLFOQEXCULO-UHFFFAOYSA-N
MW150.21 g/mol
LogP1.61
Rot. Bonds

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

2H-[1,3]thiazolo[5,4-b]azepine (PubChem CID 68680228) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 2H-[1,3]thiazolo[5,4-b]azepine.

Molecular Properties

Compound Name2H-[1,3]thiazolo[5,4-b]azepine
PubChem CID68680228
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name2H-[1,3]thiazolo[5,4-b]azepine
SMILESC1=CN=C2SCN=C2C=C1
InChIInChI=1S/C7H6N2S/c1-2-4-8-7-6(3-1)9-5-10-7/h1-4H,5H2
InChIKeyWRDQLFOQEXCULO-UHFFFAOYSA-N
XLogP1.61
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-[1,3]thiazolo[5,4-b]azepine?
The IUPAC name of 2H-[1,3]thiazolo[5,4-b]azepine (CID 68680228) is 2H-[1,3]thiazolo[5,4-b]azepine.
What is the SMILES notation for 2H-[1,3]thiazolo[5,4-b]azepine?
The canonical SMILES for 2H-[1,3]thiazolo[5,4-b]azepine is C1=CN=C2SCN=C2C=C1.
What is the InChIKey of 2H-[1,3]thiazolo[5,4-b]azepine?
The InChIKey is WRDQLFOQEXCULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c1-2-4-8-7-6(3-1)9-5-10-7/h1-4H,5H2.
What are the key properties of 2H-[1,3]thiazolo[5,4-b]azepine?
2H-[1,3]thiazolo[5,4-b]azepine has a molecular weight of 150.21 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-[1,3]thiazolo[5,4-b]azepine is sourced from PubChem (CID 68680228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).