2-(5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol

C13H19NOS — CID 84628945

IUPAC2-(5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol
SMILESCCc1cccc2c1NC(C)C(CCO)S2
InChIInChI=1S/C13H19NOS/c1-3-10-5-4-6-12-13(10)14-9(2)11(16-12)7-8-15/h4-6,9,11,14-15H,3,7-8H2,1-2H3
InChIKeyDERMNOPPFQPDNH-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.91
Rot. Bonds3

About 2-(5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol

2-(5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol (PubChem CID 84628945) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-(5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol
PubChem CID84628945
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-(5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol
SMILESCCc1cccc2c1NC(C)C(CCO)S2
InChIInChI=1S/C13H19NOS/c1-3-10-5-4-6-12-13(10)14-9(2)11(16-12)7-8-15/h4-6,9,11,14-15H,3,7-8H2,1-2H3
InChIKeyDERMNOPPFQPDNH-UHFFFAOYSA-N
XLogP2.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine
CID 84643694
5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84619205
2-(5-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-methylethanamine
CID 84636384
N-methyl-2-(3-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine
CID 84639625
(5-ethyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)methanol
CID 84628942
5-(hydroxymethyl)-3-methyl-3,4-dihydro-1,4-benzothiazin-2-one
CID 115095787
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
5-ethyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84618476
7-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 22759546
5-ethyl-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carbonitrile
CID 84633791
2-(5-tert-butyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol
CID 84634436

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol?
The IUPAC name of 2-(5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol (CID 84628945) is 2-(5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol.
What is the SMILES notation for 2-(5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol?
The canonical SMILES for 2-(5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol is CCc1cccc2c1NC(C)C(CCO)S2.
What is the InChIKey of 2-(5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol?
The InChIKey is DERMNOPPFQPDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-3-10-5-4-6-12-13(10)14-9(2)11(16-12)7-8-15/h4-6,9,11,14-15H,3,7-8H2,1-2H3.
What are the key properties of 2-(5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol?
2-(5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol has a molecular weight of 237.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol is sourced from PubChem (CID 84628945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).