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

C9H12N2S — CID 163780430

IUPAC7-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine
SMILESCCc1cnc2c(c1)NCCS2
InChIInChI=1S/C9H12N2S/c1-2-7-5-8-9(11-6-7)12-4-3-10-8/h5-6,10H,2-4H2,1H3
InChIKeyMOCSKOUNKWRZGA-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.16
Rot. Bonds1

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

7-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine (PubChem CID 163780430) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 7-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine.

Molecular Properties

Compound Name7-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine
PubChem CID163780430
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name7-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine
SMILESCCc1cnc2c(c1)NCCS2
InChIInChI=1S/C9H12N2S/c1-2-7-5-8-9(11-6-7)12-4-3-10-8/h5-6,10H,2-4H2,1H3
InChIKeyMOCSKOUNKWRZGA-UHFFFAOYSA-N
XLogP2.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine?
The IUPAC name of 7-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine (CID 163780430) is 7-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine.
What is the SMILES notation for 7-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine?
The canonical SMILES for 7-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine is CCc1cnc2c(c1)NCCS2.
What is the InChIKey of 7-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine?
The InChIKey is MOCSKOUNKWRZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-2-7-5-8-9(11-6-7)12-4-3-10-8/h5-6,10H,2-4H2,1H3.
What are the key properties of 7-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine?
7-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine has a molecular weight of 180.28 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine is sourced from PubChem (CID 163780430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).