8-bromo-3,4-dihydro-2H-pyrido[4,3-b][1,4]thiazine

C7H7BrN2S — CID 171099895

IUPAC8-bromo-3,4-dihydro-2H-pyrido[4,3-b][1,4]thiazine
SMILESBrc1cncc2c1SCCN2
InChIInChI=1S/C7H7BrN2S/c8-5-3-9-4-6-7(5)11-2-1-10-6/h3-4,10H,1-2H2
InChIKeyLLLSFFRMXGGVMM-UHFFFAOYSA-N
MW231.12 g/mol
LogP2.36
Rot. Bonds

About 8-bromo-3,4-dihydro-2H-pyrido[4,3-b][1,4]thiazine

8-bromo-3,4-dihydro-2H-pyrido[4,3-b][1,4]thiazine (PubChem CID 171099895) has the molecular formula C7H7BrN2S and a molecular weight of 231.12 g/mol. Its IUPAC name is 8-bromo-3,4-dihydro-2H-pyrido[4,3-b][1,4]thiazine.

Molecular Properties

Compound Name8-bromo-3,4-dihydro-2H-pyrido[4,3-b][1,4]thiazine
PubChem CID171099895
Molecular FormulaC7H7BrN2S
Molecular Weight231.12 g/mol
Exact Mass229.95
IUPAC Name8-bromo-3,4-dihydro-2H-pyrido[4,3-b][1,4]thiazine
SMILESBrc1cncc2c1SCCN2
InChIInChI=1S/C7H7BrN2S/c8-5-3-9-4-6-7(5)11-2-1-10-6/h3-4,10H,1-2H2
InChIKeyLLLSFFRMXGGVMM-UHFFFAOYSA-N
XLogP2.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3,4-dihydro-2H-pyrido[4,3-b][1,4]thiazine?
The IUPAC name of 8-bromo-3,4-dihydro-2H-pyrido[4,3-b][1,4]thiazine (CID 171099895) is 8-bromo-3,4-dihydro-2H-pyrido[4,3-b][1,4]thiazine.
What is the SMILES notation for 8-bromo-3,4-dihydro-2H-pyrido[4,3-b][1,4]thiazine?
The canonical SMILES for 8-bromo-3,4-dihydro-2H-pyrido[4,3-b][1,4]thiazine is Brc1cncc2c1SCCN2.
What is the InChIKey of 8-bromo-3,4-dihydro-2H-pyrido[4,3-b][1,4]thiazine?
The InChIKey is LLLSFFRMXGGVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2S/c8-5-3-9-4-6-7(5)11-2-1-10-6/h3-4,10H,1-2H2.
What are the key properties of 8-bromo-3,4-dihydro-2H-pyrido[4,3-b][1,4]thiazine?
8-bromo-3,4-dihydro-2H-pyrido[4,3-b][1,4]thiazine has a molecular weight of 231.12 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3,4-dihydro-2H-pyrido[4,3-b][1,4]thiazine is sourced from PubChem (CID 171099895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).