2-amino-1-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone

C11H13ClN2OS — CID 84636363

IUPAC2-amino-1-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
SMILESCC1CSc2ccc(Cl)cc2N1C(=O)CN
InChIInChI=1S/C11H13ClN2OS/c1-7-6-16-10-3-2-8(12)4-9(10)14(7)11(15)5-13/h2-4,7H,5-6,13H2,1H3
InChIKeyMUAUVDMIKUGMLR-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.13
Rot. Bonds1

About 2-amino-1-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone

2-amino-1-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone (PubChem CID 84636363) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is 2-amino-1-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
PubChem CID84636363
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC Name2-amino-1-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
SMILESCC1CSc2ccc(Cl)cc2N1C(=O)CN
InChIInChI=1S/C11H13ClN2OS/c1-7-6-16-10-3-2-8(12)4-9(10)14(7)11(15)5-13/h2-4,7H,5-6,13H2,1H3
InChIKeyMUAUVDMIKUGMLR-UHFFFAOYSA-N
XLogP2.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine
CID 84621868
2-amino-1-(3,5,7-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 84633871
2-amino-1-(5-bromo-3,7-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 84645572
2-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine
CID 84636399
3-amino-1-(5-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one
CID 84639547
N-[2-(3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]benzamide
CID 110746285
1-(7-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone
CID 84639533
2-(3,4-dimethoxyphenyl)-1-(3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 110746276
2-(2-methoxyphenoxy)-1-(3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 110738121
2-chloro-1-(7-chloro-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone
CID 166404304
3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride
CID 24747135
6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine
CID 91662295

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The IUPAC name of 2-amino-1-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone (CID 84636363) is 2-amino-1-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone is CC1CSc2ccc(Cl)cc2N1C(=O)CN.
What is the InChIKey of 2-amino-1-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The InChIKey is MUAUVDMIKUGMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c1-7-6-16-10-3-2-8(12)4-9(10)14(7)11(15)5-13/h2-4,7H,5-6,13H2,1H3.
What are the key properties of 2-amino-1-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
2-amino-1-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone has a molecular weight of 256.76 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-chloro-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone is sourced from PubChem (CID 84636363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).