2-(2,4-dihydro-1,3-benzothiazin-3-yl)ethanol

C10H13NOS — CID 140969919

IUPAC2-(2,4-dihydro-1,3-benzothiazin-3-yl)ethanol
SMILESOCCN1CSc2ccccc2C1
InChIInChI=1S/C10H13NOS/c12-6-5-11-7-9-3-1-2-4-10(9)13-8-11/h1-4,12H,5-8H2
InChIKeyCBHYBLGQXITBJH-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.54
Rot. Bonds2

About 2-(2,4-dihydro-1,3-benzothiazin-3-yl)ethanol

2-(2,4-dihydro-1,3-benzothiazin-3-yl)ethanol (PubChem CID 140969919) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-(2,4-dihydro-1,3-benzothiazin-3-yl)ethanol.

Molecular Properties

Compound Name2-(2,4-dihydro-1,3-benzothiazin-3-yl)ethanol
PubChem CID140969919
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name2-(2,4-dihydro-1,3-benzothiazin-3-yl)ethanol
SMILESOCCN1CSc2ccccc2C1
InChIInChI=1S/C10H13NOS/c12-6-5-11-7-9-3-1-2-4-10(9)13-8-11/h1-4,12H,5-8H2
InChIKeyCBHYBLGQXITBJH-UHFFFAOYSA-N
XLogP1.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-2,4-dihydro-1,3-benzothiazine
CID 21135400
2-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol
CID 79221064
3-(3-methylphenyl)-2,4-dihydro-1,3-benzothiazine
CID 45104990
2-(1,3,2-benzodithiazol-2-yl)ethanol
CID 10397874
7-(1,3-dihydroisoindol-2-yl)heptan-1-ol
CID 165175514
2-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)ethanol
CID 147421486
2-bromo-1-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)ethanone
CID 15291657
2-(5-chloro-1,3-dihydroisoindol-2-yl)ethanol
CID 82164081
2-(5-bromo-1,3-dihydroisoindol-2-yl)ethanol
CID 82164047
2-(5-methyl-1,3-dihydroisoindol-2-yl)ethanol
CID 131133727
5-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pentan-1-ol
CID 110923925
2-[(1R,9R)-8,16-dithia-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-17-yl]ethanol
CID 10968639

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dihydro-1,3-benzothiazin-3-yl)ethanol?
The IUPAC name of 2-(2,4-dihydro-1,3-benzothiazin-3-yl)ethanol (CID 140969919) is 2-(2,4-dihydro-1,3-benzothiazin-3-yl)ethanol.
What is the SMILES notation for 2-(2,4-dihydro-1,3-benzothiazin-3-yl)ethanol?
The canonical SMILES for 2-(2,4-dihydro-1,3-benzothiazin-3-yl)ethanol is OCCN1CSc2ccccc2C1.
What is the InChIKey of 2-(2,4-dihydro-1,3-benzothiazin-3-yl)ethanol?
The InChIKey is CBHYBLGQXITBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c12-6-5-11-7-9-3-1-2-4-10(9)13-8-11/h1-4,12H,5-8H2.
What are the key properties of 2-(2,4-dihydro-1,3-benzothiazin-3-yl)ethanol?
2-(2,4-dihydro-1,3-benzothiazin-3-yl)ethanol has a molecular weight of 195.29 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dihydro-1,3-benzothiazin-3-yl)ethanol is sourced from PubChem (CID 140969919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).