6-[1-(2-hydroxyphenyl)ethylamino]-4H-1,4-benzothiazin-3-one

C16H16N2O2S — CID 43723190

IUPAC6-[1-(2-hydroxyphenyl)ethylamino]-4H-1,4-benzothiazin-3-one
SMILESCC(Nc1ccc2c(c1)NC(=O)CS2)c1ccccc1O
InChIInChI=1S/C16H16N2O2S/c1-10(12-4-2-3-5-14(12)19)17-11-6-7-15-13(8-11)18-16(20)9-21-15/h2-8,10,17,19H,9H2,1H3,(H,18,20)
InChIKeyXFAWCCILODYOIG-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.61
Rot. Bonds3

About 6-[1-(2-hydroxyphenyl)ethylamino]-4H-1,4-benzothiazin-3-one

6-[1-(2-hydroxyphenyl)ethylamino]-4H-1,4-benzothiazin-3-one (PubChem CID 43723190) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 6-[1-(2-hydroxyphenyl)ethylamino]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-[1-(2-hydroxyphenyl)ethylamino]-4H-1,4-benzothiazin-3-one
PubChem CID43723190
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name6-[1-(2-hydroxyphenyl)ethylamino]-4H-1,4-benzothiazin-3-one
SMILESCC(Nc1ccc2c(c1)NC(=O)CS2)c1ccccc1O
InChIInChI=1S/C16H16N2O2S/c1-10(12-4-2-3-5-14(12)19)17-11-6-7-15-13(8-11)18-16(20)9-21-15/h2-8,10,17,19H,9H2,1H3,(H,18,20)
InChIKeyXFAWCCILODYOIG-UHFFFAOYSA-N
XLogP3.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

6-[1-(2-chlorophenyl)ethylamino]-4H-1,4-benzothiazin-3-one
CID 43226997
6-[1-(4-hydroxyphenyl)ethylamino]-4H-1,4-benzothiazin-3-one
CID 43723169
6-[1-(4-methylphenyl)ethylamino]-4H-1,4-benzothiazin-3-one
CID 43723176
6-(1-aminopropan-2-ylamino)-4H-1,4-benzothiazin-3-one
CID 103388562
6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-4H-1,4-benzothiazin-3-one
CID 43723199
6-(1-methoxypropan-2-ylamino)-4H-1,4-benzothiazin-3-one
CID 62535463
6-(1-ethoxypropan-2-ylamino)-4H-1,4-benzothiazin-3-one
CID 115917300
1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea
CID 31772262
N-[1-(2-methylphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 17420016
6-(ethylamino)-4H-1,4-benzothiazin-3-one
CID 43229079
2-bromo-3-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)butanamide
CID 43699749
6-(1-pyrrolidin-2-ylpropan-2-ylamino)-4H-1,4-benzothiazin-3-one
CID 79541702

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-hydroxyphenyl)ethylamino]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-[1-(2-hydroxyphenyl)ethylamino]-4H-1,4-benzothiazin-3-one (CID 43723190) is 6-[1-(2-hydroxyphenyl)ethylamino]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-[1-(2-hydroxyphenyl)ethylamino]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-[1-(2-hydroxyphenyl)ethylamino]-4H-1,4-benzothiazin-3-one is CC(Nc1ccc2c(c1)NC(=O)CS2)c1ccccc1O.
What is the InChIKey of 6-[1-(2-hydroxyphenyl)ethylamino]-4H-1,4-benzothiazin-3-one?
The InChIKey is XFAWCCILODYOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-10(12-4-2-3-5-14(12)19)17-11-6-7-15-13(8-11)18-16(20)9-21-15/h2-8,10,17,19H,9H2,1H3,(H,18,20).
What are the key properties of 6-[1-(2-hydroxyphenyl)ethylamino]-4H-1,4-benzothiazin-3-one?
6-[1-(2-hydroxyphenyl)ethylamino]-4H-1,4-benzothiazin-3-one has a molecular weight of 300.38 g/mol, XLogP of 3.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-hydroxyphenyl)ethylamino]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 43723190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).