7-chloro-3-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine

C9H11ClN2S — CID 105356234

IUPAC7-chloro-3-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine
SMILESCCC1CNc2cc(Cl)cnc2S1
InChIInChI=1S/C9H11ClN2S/c1-2-7-5-11-8-3-6(10)4-12-9(8)13-7/h3-4,7,11H,2,5H2,1H3
InChIKeyXLUUHZAROJOVRE-UHFFFAOYSA-N
MW214.72 g/mol
LogP3.03
Rot. Bonds1

About 7-chloro-3-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine

7-chloro-3-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine (PubChem CID 105356234) has the molecular formula C9H11ClN2S and a molecular weight of 214.72 g/mol. Its IUPAC name is 7-chloro-3-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine.

Molecular Properties

Compound Name7-chloro-3-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine
PubChem CID105356234
Molecular FormulaC9H11ClN2S
Molecular Weight214.72 g/mol
Exact Mass214.03
IUPAC Name7-chloro-3-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine
SMILESCCC1CNc2cc(Cl)cnc2S1
InChIInChI=1S/C9H11ClN2S/c1-2-7-5-11-8-3-6(10)4-12-9(8)13-7/h3-4,7,11H,2,5H2,1H3
InChIKeyXLUUHZAROJOVRE-UHFFFAOYSA-N
XLogP3.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine?
The IUPAC name of 7-chloro-3-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine (CID 105356234) is 7-chloro-3-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine.
What is the SMILES notation for 7-chloro-3-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine?
The canonical SMILES for 7-chloro-3-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine is CCC1CNc2cc(Cl)cnc2S1.
What is the InChIKey of 7-chloro-3-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine?
The InChIKey is XLUUHZAROJOVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2S/c1-2-7-5-11-8-3-6(10)4-12-9(8)13-7/h3-4,7,11H,2,5H2,1H3.
What are the key properties of 7-chloro-3-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine?
7-chloro-3-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine has a molecular weight of 214.72 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine is sourced from PubChem (CID 105356234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).