2-aminoethanol;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide

C17H20N4O5S — CID 54687412

IUPAC2-aminoethanol;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O.NCCO
InChIInChI=1S/C15H13N3O4S.C2H7NO/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22;3-1-2-4/h2-9,19H,1H3,(H,16,17,20);4H,1-3H2
InChIKeyFVTSYHPRVGNAQI-UHFFFAOYSA-N
MW392.44 g/mol
LogP0.52
Rot. Bonds3

About 2-aminoethanol;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide

2-aminoethanol;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 54687412) has the molecular formula C17H20N4O5S and a molecular weight of 392.44 g/mol. Its IUPAC name is 2-aminoethanol;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name2-aminoethanol;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide
PubChem CID54687412
Molecular FormulaC17H20N4O5S
Molecular Weight392.44 g/mol
Exact Mass392.12
IUPAC Name2-aminoethanol;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O.NCCO
InChIInChI=1S/C15H13N3O4S.C2H7NO/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22;3-1-2-4/h2-9,19H,1H3,(H,16,17,20);4H,1-3H2
InChIKeyFVTSYHPRVGNAQI-UHFFFAOYSA-N
XLogP0.52
TPSA145.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

Piroxicam
CID 54676228
Ampiroxicam
CID 2176
Droxicam
CID 65679
5'-Hydroxypiroxicam
CID 54676301
Piroxicam Cinnamate
CID 6436090
Piroxicam monohydrate
CID 54705052
4-hydroxy-2-methyl-N-(pyrimidin-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
CID 54695987
O-Methyl Piroxicam
CID 578698
Piroxicam-beta-cyclodextrin
CID 54697648
4-hydroxy-3-[7-(2-hydroxyethylsulfamoylamino)-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-yl]-1-isopentyl-1,8-naphthyridin-2-one
CID 135410987
1-(cyclohexylmethyl)-3-(1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-yl)-4-hydroxy-1,8-naphthyridin-2-one
CID 135464356
3-(1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-yl)-4-hydroxy-1-isopentyl-1,8-naphthyridin-2-one
CID 135494585

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 2-aminoethanol;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide (CID 54687412) is 2-aminoethanol;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 2-aminoethanol;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 2-aminoethanol;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide is CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O.NCCO.
What is the InChIKey of 2-aminoethanol;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is FVTSYHPRVGNAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S.C2H7NO/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22;3-1-2-4/h2-9,19H,1H3,(H,16,17,20);4H,1-3H2.
What are the key properties of 2-aminoethanol;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide?
2-aminoethanol;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 0.52, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 54687412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).