5-ethyl-3,4-dihydro-2H-1,4-benzothiazine

C10H13NS — CID 84618476

IUPAC5-ethyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCCc1cccc2c1NCCS2
InChIInChI=1S/C10H13NS/c1-2-8-4-3-5-9-10(8)11-6-7-12-9/h3-5,11H,2,6-7H2,1H3
InChIKeyGBDMRGVVOQNQNA-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.77
Rot. Bonds1

About 5-ethyl-3,4-dihydro-2H-1,4-benzothiazine

5-ethyl-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 84618476) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 5-ethyl-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name5-ethyl-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID84618476
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name5-ethyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCCc1cccc2c1NCCS2
InChIInChI=1S/C10H13NS/c1-2-8-4-3-5-9-10(8)11-6-7-12-9/h3-5,11H,2,6-7H2,1H3
InChIKeyGBDMRGVVOQNQNA-UHFFFAOYSA-N
XLogP2.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 5-ethyl-3,4-dihydro-2H-1,4-benzothiazine (CID 84618476) is 5-ethyl-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 5-ethyl-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 5-ethyl-3,4-dihydro-2H-1,4-benzothiazine is CCc1cccc2c1NCCS2.
What is the InChIKey of 5-ethyl-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is GBDMRGVVOQNQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-2-8-4-3-5-9-10(8)11-6-7-12-9/h3-5,11H,2,6-7H2,1H3.
What are the key properties of 5-ethyl-3,4-dihydro-2H-1,4-benzothiazine?
5-ethyl-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 179.29 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 84618476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).