2-amino-1-(7-ethyl-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone

C13H18N2OS — CID 84633847

IUPAC2-amino-1-(7-ethyl-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
SMILESCCc1ccc2c(c1)SC(C)CN2C(=O)CN
InChIInChI=1S/C13H18N2OS/c1-3-10-4-5-11-12(6-10)17-9(2)8-15(11)13(16)7-14/h4-6,9H,3,7-8,14H2,1-2H3
InChIKeyURDNIGHITSTTPD-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.03
Rot. Bonds2

About 2-amino-1-(7-ethyl-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone

2-amino-1-(7-ethyl-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone (PubChem CID 84633847) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-amino-1-(7-ethyl-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(7-ethyl-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
PubChem CID84633847
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-amino-1-(7-ethyl-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
SMILESCCc1ccc2c(c1)SC(C)CN2C(=O)CN
InChIInChI=1S/C13H18N2OS/c1-3-10-4-5-11-12(6-10)17-9(2)8-15(11)13(16)7-14/h4-6,9H,3,7-8,14H2,1-2H3
InChIKeyURDNIGHITSTTPD-UHFFFAOYSA-N
XLogP2.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(7-bromo-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 84644600
2-amino-1-(5-fluoro-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 84629698
3-amino-1-(6-bromo-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one
CID 84645577
4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-propylbutanamide
CID 20899630
1-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone
CID 71972315
1-(7-ethyl-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone
CID 84639533
4-acetyl-2-methyl-N-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-7-sulfonamide
CID 126458754
4-(2,6-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoic acid
CID 84642602
methyl 4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoate
CID 110738049
4-acetyl-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydro-1,4-benzothiazine-7-sulfonamide
CID 126459722
benzyl 6-ethyl-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 142904428
5-ethyl-1,3-dimethyl-2,3-dihydroindole
CID 58525500

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(7-ethyl-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The IUPAC name of 2-amino-1-(7-ethyl-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone (CID 84633847) is 2-amino-1-(7-ethyl-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(7-ethyl-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(7-ethyl-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone is CCc1ccc2c(c1)SC(C)CN2C(=O)CN.
What is the InChIKey of 2-amino-1-(7-ethyl-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The InChIKey is URDNIGHITSTTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-3-10-4-5-11-12(6-10)17-9(2)8-15(11)13(16)7-14/h4-6,9H,3,7-8,14H2,1-2H3.
What are the key properties of 2-amino-1-(7-ethyl-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
2-amino-1-(7-ethyl-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone has a molecular weight of 250.37 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(7-ethyl-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone is sourced from PubChem (CID 84633847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).