6-[1-(2-chlorophenyl)ethylamino]-4H-1,4-benzothiazin-3-one

C16H15ClN2OS — CID 43226997

IUPAC6-[1-(2-chlorophenyl)ethylamino]-4H-1,4-benzothiazin-3-one
SMILESCC(Nc1ccc2c(c1)NC(=O)CS2)c1ccccc1Cl
InChIInChI=1S/C16H15ClN2OS/c1-10(12-4-2-3-5-13(12)17)18-11-6-7-15-14(8-11)19-16(20)9-21-15/h2-8,10,18H,9H2,1H3,(H,19,20)
InChIKeyPGLRCAJXSVKPTH-UHFFFAOYSA-N
MW318.83 g/mol
LogP4.56
Rot. Bonds3

About 6-[1-(2-chlorophenyl)ethylamino]-4H-1,4-benzothiazin-3-one

6-[1-(2-chlorophenyl)ethylamino]-4H-1,4-benzothiazin-3-one (PubChem CID 43226997) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is 6-[1-(2-chlorophenyl)ethylamino]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-[1-(2-chlorophenyl)ethylamino]-4H-1,4-benzothiazin-3-one
PubChem CID43226997
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC Name6-[1-(2-chlorophenyl)ethylamino]-4H-1,4-benzothiazin-3-one
SMILESCC(Nc1ccc2c(c1)NC(=O)CS2)c1ccccc1Cl
InChIInChI=1S/C16H15ClN2OS/c1-10(12-4-2-3-5-13(12)17)18-11-6-7-15-14(8-11)19-16(20)9-21-15/h2-8,10,18H,9H2,1H3,(H,19,20)
InChIKeyPGLRCAJXSVKPTH-UHFFFAOYSA-N
XLogP4.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-(2-hydroxyphenyl)ethylamino]-4H-1,4-benzothiazin-3-one
CID 43723190
6-[1-(4-methylphenyl)ethylamino]-4H-1,4-benzothiazin-3-one
CID 43723176
6-[1-(4-hydroxyphenyl)ethylamino]-4H-1,4-benzothiazin-3-one
CID 43723169
6-(1-aminopropan-2-ylamino)-4H-1,4-benzothiazin-3-one
CID 103388562
6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-4H-1,4-benzothiazin-3-one
CID 43723199
6-(1-ethoxypropan-2-ylamino)-4H-1,4-benzothiazin-3-one
CID 115917300
6-(ethylamino)-4H-1,4-benzothiazin-3-one
CID 43229079
6-[2-(3-chlorophenyl)propylamino]-4H-1,4-benzothiazin-3-one
CID 166219035
6-(1-pyrrolidin-2-ylpropan-2-ylamino)-4H-1,4-benzothiazin-3-one
CID 79541702
6-(prop-2-ynylamino)-4H-1,4-benzothiazin-3-one
CID 60680899
6-[(2-chloro-6-methoxyphenyl)methylamino]-4H-1,4-benzothiazin-3-one
CID 71913717
6-[(4-propan-2-ylcyclohexyl)amino]-4H-1,4-benzothiazin-3-one
CID 62703701

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-chlorophenyl)ethylamino]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-[1-(2-chlorophenyl)ethylamino]-4H-1,4-benzothiazin-3-one (CID 43226997) is 6-[1-(2-chlorophenyl)ethylamino]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-[1-(2-chlorophenyl)ethylamino]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-[1-(2-chlorophenyl)ethylamino]-4H-1,4-benzothiazin-3-one is CC(Nc1ccc2c(c1)NC(=O)CS2)c1ccccc1Cl.
What is the InChIKey of 6-[1-(2-chlorophenyl)ethylamino]-4H-1,4-benzothiazin-3-one?
The InChIKey is PGLRCAJXSVKPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/c1-10(12-4-2-3-5-13(12)17)18-11-6-7-15-14(8-11)19-16(20)9-21-15/h2-8,10,18H,9H2,1H3,(H,19,20).
What are the key properties of 6-[1-(2-chlorophenyl)ethylamino]-4H-1,4-benzothiazin-3-one?
6-[1-(2-chlorophenyl)ethylamino]-4H-1,4-benzothiazin-3-one has a molecular weight of 318.83 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-chlorophenyl)ethylamino]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 43226997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).