1-[(2R)-2-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-2-(ethylamino)ethanone

C18H19ClN2OS — CID 54280855

IUPAC1-[(2R)-2-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-2-(ethylamino)ethanone
SMILESCCNCC(=O)N1C[C@@H](c2ccc(Cl)cc2)Sc2ccccc21
InChIInChI=1S/C18H19ClN2OS/c1-2-20-11-18(22)21-12-17(13-7-9-14(19)10-8-13)23-16-6-4-3-5-15(16)21/h3-10,17,20H,2,11-12H2,1H3/t17-/m0/s1
InChIKeyRQRNZCJAIHKQIR-KRWDZBQOSA-N
MW346.88 g/mol
LogP4.13
Rot. Bonds4

About 1-[(2R)-2-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-2-(ethylamino)ethanone

1-[(2R)-2-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-2-(ethylamino)ethanone (PubChem CID 54280855) has the molecular formula C18H19ClN2OS and a molecular weight of 346.88 g/mol. Its IUPAC name is 1-[(2R)-2-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-2-(ethylamino)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-2-(ethylamino)ethanone
PubChem CID54280855
Molecular FormulaC18H19ClN2OS
Molecular Weight346.88 g/mol
Exact Mass346.09
IUPAC Name1-[(2R)-2-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-2-(ethylamino)ethanone
SMILESCCNCC(=O)N1C[C@@H](c2ccc(Cl)cc2)Sc2ccccc21
InChIInChI=1S/C18H19ClN2OS/c1-2-20-11-18(22)21-12-17(13-7-9-14(19)10-8-13)23-16-6-4-3-5-15(16)21/h3-10,17,20H,2,11-12H2,1H3/t17-/m0/s1
InChIKeyRQRNZCJAIHKQIR-KRWDZBQOSA-N
XLogP4.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-2-(ethylamino)ethanone?
The IUPAC name of 1-[(2R)-2-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-2-(ethylamino)ethanone (CID 54280855) is 1-[(2R)-2-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-2-(ethylamino)ethanone.
What is the SMILES notation for 1-[(2R)-2-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-2-(ethylamino)ethanone?
The canonical SMILES for 1-[(2R)-2-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-2-(ethylamino)ethanone is CCNCC(=O)N1C[C@@H](c2ccc(Cl)cc2)Sc2ccccc21.
What is the InChIKey of 1-[(2R)-2-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-2-(ethylamino)ethanone?
The InChIKey is RQRNZCJAIHKQIR-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19ClN2OS/c1-2-20-11-18(22)21-12-17(13-7-9-14(19)10-8-13)23-16-6-4-3-5-15(16)21/h3-10,17,20H,2,11-12H2,1H3/t17-/m0/s1.
What are the key properties of 1-[(2R)-2-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-2-(ethylamino)ethanone?
1-[(2R)-2-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-2-(ethylamino)ethanone has a molecular weight of 346.88 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-2-(ethylamino)ethanone is sourced from PubChem (CID 54280855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).