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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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).