2-(3,5,6-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol

C13H19NOS — CID 84628959

IUPAC2-(3,5,6-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol
SMILESCc1ccc2c(c1C)NC(C)C(CCO)S2
InChIInChI=1S/C13H19NOS/c1-8-4-5-12-13(9(8)2)14-10(3)11(16-12)6-7-15/h4-5,10-11,14-15H,6-7H2,1-3H3
InChIKeyKYGPIGIAQLUNEZ-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.96
Rot. Bonds2

About 2-(3,5,6-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol

2-(3,5,6-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol (PubChem CID 84628959) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-(3,5,6-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol.

Molecular Properties

Compound Name2-(3,5,6-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol
PubChem CID84628959
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-(3,5,6-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol
SMILESCc1ccc2c(c1C)NC(C)C(CCO)S2
InChIInChI=1S/C13H19NOS/c1-8-4-5-12-13(9(8)2)14-10(3)11(16-12)6-7-15/h4-5,10-11,14-15H,6-7H2,1-3H3
InChIKeyKYGPIGIAQLUNEZ-UHFFFAOYSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5,6-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol?
The IUPAC name of 2-(3,5,6-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol (CID 84628959) is 2-(3,5,6-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol.
What is the SMILES notation for 2-(3,5,6-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol?
The canonical SMILES for 2-(3,5,6-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol is Cc1ccc2c(c1C)NC(C)C(CCO)S2.
What is the InChIKey of 2-(3,5,6-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol?
The InChIKey is KYGPIGIAQLUNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-8-4-5-12-13(9(8)2)14-10(3)11(16-12)6-7-15/h4-5,10-11,14-15H,6-7H2,1-3H3.
What are the key properties of 2-(3,5,6-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol?
2-(3,5,6-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol has a molecular weight of 237.37 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5,6-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanol is sourced from PubChem (CID 84628959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).