pyrido[2,3-b][1,4]thiazepine

C8H6N2S — CID 67942669

IUPACpyrido[2,3-b][1,4]thiazepine
SMILESC1=CSc2ncccc2N=C1
InChIInChI=1S/C8H6N2S/c1-3-7-8(10-4-1)11-6-2-5-9-7/h1-6H
InChIKeyDRRWPYNMKWQKIB-UHFFFAOYSA-N
MW162.22 g/mol
LogP2.40
Rot. Bonds

About pyrido[2,3-b][1,4]thiazepine

pyrido[2,3-b][1,4]thiazepine (PubChem CID 67942669) has the molecular formula C8H6N2S and a molecular weight of 162.22 g/mol. Its IUPAC name is pyrido[2,3-b][1,4]thiazepine.

Molecular Properties

Compound Namepyrido[2,3-b][1,4]thiazepine
PubChem CID67942669
Molecular FormulaC8H6N2S
Molecular Weight162.22 g/mol
Exact Mass162.03
IUPAC Namepyrido[2,3-b][1,4]thiazepine
SMILESC1=CSc2ncccc2N=C1
InChIInChI=1S/C8H6N2S/c1-3-7-8(10-4-1)11-6-2-5-9-7/h1-6H
InChIKeyDRRWPYNMKWQKIB-UHFFFAOYSA-N
XLogP2.40
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrido[2,3-b][1,4]thiazepine?
The IUPAC name of pyrido[2,3-b][1,4]thiazepine (CID 67942669) is pyrido[2,3-b][1,4]thiazepine.
What is the SMILES notation for pyrido[2,3-b][1,4]thiazepine?
The canonical SMILES for pyrido[2,3-b][1,4]thiazepine is C1=CSc2ncccc2N=C1.
What is the InChIKey of pyrido[2,3-b][1,4]thiazepine?
The InChIKey is DRRWPYNMKWQKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2S/c1-3-7-8(10-4-1)11-6-2-5-9-7/h1-6H.
What are the key properties of pyrido[2,3-b][1,4]thiazepine?
pyrido[2,3-b][1,4]thiazepine has a molecular weight of 162.22 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[2,3-b][1,4]thiazepine is sourced from PubChem (CID 67942669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).