4H-[1,3]thiazolo[4,5-c]azepine

C7H6N2S — CID 57432535

IUPAC4H-[1,3]thiazolo[4,5-c]azepine
SMILESC1=Cc2scnc2CN=C1
InChIInChI=1S/C7H6N2S/c1-2-7-6(4-8-3-1)9-5-10-7/h1-3,5H,4H2
InChIKeyTVDJMXGINUJARP-UHFFFAOYSA-N
MW150.21 g/mol
LogP1.74
Rot. Bonds

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

4H-[1,3]thiazolo[4,5-c]azepine (PubChem CID 57432535) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 4H-[1,3]thiazolo[4,5-c]azepine.

Molecular Properties

Compound Name4H-[1,3]thiazolo[4,5-c]azepine
PubChem CID57432535
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name4H-[1,3]thiazolo[4,5-c]azepine
SMILESC1=Cc2scnc2CN=C1
InChIInChI=1S/C7H6N2S/c1-2-7-6(4-8-3-1)9-5-10-7/h1-3,5H,4H2
InChIKeyTVDJMXGINUJARP-UHFFFAOYSA-N
XLogP1.74
TPSA25.25 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 ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4H-[1,3]thiazolo[4,5-c]azepine?
The IUPAC name of 4H-[1,3]thiazolo[4,5-c]azepine (CID 57432535) is 4H-[1,3]thiazolo[4,5-c]azepine.
What is the SMILES notation for 4H-[1,3]thiazolo[4,5-c]azepine?
The canonical SMILES for 4H-[1,3]thiazolo[4,5-c]azepine is C1=Cc2scnc2CN=C1.
What is the InChIKey of 4H-[1,3]thiazolo[4,5-c]azepine?
The InChIKey is TVDJMXGINUJARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c1-2-7-6(4-8-3-1)9-5-10-7/h1-3,5H,4H2.
What are the key properties of 4H-[1,3]thiazolo[4,5-c]azepine?
4H-[1,3]thiazolo[4,5-c]azepine has a molecular weight of 150.21 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-[1,3]thiazolo[4,5-c]azepine is sourced from PubChem (CID 57432535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).