(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-hydroxy-2-methylphenyl)methanone

C16H16N2O2S — CID 82810516

IUPAC(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-hydroxy-2-methylphenyl)methanone
SMILESCc1c(O)cccc1C(=O)N1CCSc2ccc(N)cc21
InChIInChI=1S/C16H16N2O2S/c1-10-12(3-2-4-14(10)19)16(20)18-7-8-21-15-6-5-11(17)9-13(15)18/h2-6,9,19H,7-8,17H2,1H3
InChIKeyOHMZPXCLQUXFKS-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.04
Rot. Bonds1

About (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-hydroxy-2-methylphenyl)methanone

(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-hydroxy-2-methylphenyl)methanone (PubChem CID 82810516) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-hydroxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-hydroxy-2-methylphenyl)methanone
PubChem CID82810516
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-hydroxy-2-methylphenyl)methanone
SMILESCc1c(O)cccc1C(=O)N1CCSc2ccc(N)cc21
InChIInChI=1S/C16H16N2O2S/c1-10-12(3-2-4-14(10)19)16(20)18-7-8-21-15-6-5-11(17)9-13(15)18/h2-6,9,19H,7-8,17H2,1H3
InChIKeyOHMZPXCLQUXFKS-UHFFFAOYSA-N
XLogP3.04
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-hydroxy-2-methylphenyl)methanone?
The IUPAC name of (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-hydroxy-2-methylphenyl)methanone (CID 82810516) is (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-hydroxy-2-methylphenyl)methanone.
What is the SMILES notation for (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-hydroxy-2-methylphenyl)methanone?
The canonical SMILES for (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-hydroxy-2-methylphenyl)methanone is Cc1c(O)cccc1C(=O)N1CCSc2ccc(N)cc21.
What is the InChIKey of (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-hydroxy-2-methylphenyl)methanone?
The InChIKey is OHMZPXCLQUXFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-10-12(3-2-4-14(10)19)16(20)18-7-8-21-15-6-5-11(17)9-13(15)18/h2-6,9,19H,7-8,17H2,1H3.
What are the key properties of (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-hydroxy-2-methylphenyl)methanone?
(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-hydroxy-2-methylphenyl)methanone has a molecular weight of 300.38 g/mol, XLogP of 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-hydroxy-2-methylphenyl)methanone is sourced from PubChem (CID 82810516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).