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

Analyze 5-ethyl-3,4-dihydro-2H-1,4-benzothiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84621585
5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84619205
3-tert-butyl-5-ethyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84628238
3-(5-ethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine
CID 84628515
6-ethyl-1-methyl-2,3,4,5-tetrahydro-1,5-benzodiazepine
CID 84618977
(8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)methanamine
CID 82276255
methyl 6-ethyl-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylate
CID 140990900
2-(5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol
CID 84628945
(3R)-7-ethyl-3-propan-2-yl-2,3-dihydro-1H-indole
CID 95430864
7-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 22759546
1-(2,6-diethylphenyl)imidazolidin-2-one
CID 115370429
(3-methyl-3,4-dihydro-2H-1,4-benzothiazin-5-yl)methanamine
CID 115095816

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).