2-[(2E)-2-[1-(ethylamino)-1-oxopropan-2-ylidene]-3H-1,4-benzothiazin-4-yl]ethyl 2-methylprop-2-enoate

C19H24N2O3S — CID 143310566

IUPAC2-[(2E)-2-[1-(ethylamino)-1-oxopropan-2-ylidene]-3H-1,4-benzothiazin-4-yl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN1C/C(=C(/C)C(=O)NCC)Sc2ccccc21
InChIInChI=1S/C19H24N2O3S/c1-5-20-18(22)14(4)17-12-21(10-11-24-19(23)13(2)3)15-8-6-7-9-16(15)25-17/h6-9H,2,5,10-12H2,1,3-4H3,(H,20,22)/b17-14+
InChIKeyPWLFKKGFFWJUSU-SAPNQHFASA-N
MW360.48 g/mol
LogP3.13
Rot. Bonds6

About 2-[(2E)-2-[1-(ethylamino)-1-oxopropan-2-ylidene]-3H-1,4-benzothiazin-4-yl]ethyl 2-methylprop-2-enoate

2-[(2E)-2-[1-(ethylamino)-1-oxopropan-2-ylidene]-3H-1,4-benzothiazin-4-yl]ethyl 2-methylprop-2-enoate (PubChem CID 143310566) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[(2E)-2-[1-(ethylamino)-1-oxopropan-2-ylidene]-3H-1,4-benzothiazin-4-yl]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[(2E)-2-[1-(ethylamino)-1-oxopropan-2-ylidene]-3H-1,4-benzothiazin-4-yl]ethyl 2-methylprop-2-enoate
PubChem CID143310566
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-[(2E)-2-[1-(ethylamino)-1-oxopropan-2-ylidene]-3H-1,4-benzothiazin-4-yl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN1C/C(=C(/C)C(=O)NCC)Sc2ccccc21
InChIInChI=1S/C19H24N2O3S/c1-5-20-18(22)14(4)17-12-21(10-11-24-19(23)13(2)3)15-8-6-7-9-16(15)25-17/h6-9H,2,5,10-12H2,1,3-4H3,(H,20,22)/b17-14+
InChIKeyPWLFKKGFFWJUSU-SAPNQHFASA-N
XLogP3.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(2E)-2-(1,3-diethyl-4-methylidene-6-oxo-2-sulfanylidene-1,3-diazinan-5-ylidene)-1,3-benzothiazol-3-yl]ethyl 2-methylprop-2-enoate
CID 89357602
2-(2H-1,3-benzothiazol-3-yl)ethyl carbamate
CID 90141343
2-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 2-methylprop-2-enoate
CID 18314417
2-[[2-cyano-2-(10-methylacridin-9-ylidene)acetyl]amino]ethyl 2-methylprop-2-enoate
CID 139451594
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
CID 175978198
CID 175978198
2-[(2-cyano-2-thieno[2,3-b]thiochromen-4-ylideneacetyl)amino]ethyl 2-methylprop-2-enoate
CID 155655947
2-(3-ethenyl-2-methylindol-1-yl)ethyl 2-methylprop-2-enoate
CID 163696593
ethane;2-(9-oxoacridin-10-yl)ethyl 2-methylprop-2-enoate;sulfane
CID 145481975
2-[[4-(2-phenylethyl)piperazine-1-carbonyl]amino]ethyl 2-methylprop-2-enoate
CID 171816273
3-benzhydrylsilylpropyl 2-methylprop-2-enoate
CID 152767258
3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
CID 19012650

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[1-(ethylamino)-1-oxopropan-2-ylidene]-3H-1,4-benzothiazin-4-yl]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[(2E)-2-[1-(ethylamino)-1-oxopropan-2-ylidene]-3H-1,4-benzothiazin-4-yl]ethyl 2-methylprop-2-enoate (CID 143310566) is 2-[(2E)-2-[1-(ethylamino)-1-oxopropan-2-ylidene]-3H-1,4-benzothiazin-4-yl]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[(2E)-2-[1-(ethylamino)-1-oxopropan-2-ylidene]-3H-1,4-benzothiazin-4-yl]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[(2E)-2-[1-(ethylamino)-1-oxopropan-2-ylidene]-3H-1,4-benzothiazin-4-yl]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN1C/C(=C(/C)C(=O)NCC)Sc2ccccc21.
What is the InChIKey of 2-[(2E)-2-[1-(ethylamino)-1-oxopropan-2-ylidene]-3H-1,4-benzothiazin-4-yl]ethyl 2-methylprop-2-enoate?
The InChIKey is PWLFKKGFFWJUSU-SAPNQHFASA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-5-20-18(22)14(4)17-12-21(10-11-24-19(23)13(2)3)15-8-6-7-9-16(15)25-17/h6-9H,2,5,10-12H2,1,3-4H3,(H,20,22)/b17-14+.
What are the key properties of 2-[(2E)-2-[1-(ethylamino)-1-oxopropan-2-ylidene]-3H-1,4-benzothiazin-4-yl]ethyl 2-methylprop-2-enoate?
2-[(2E)-2-[1-(ethylamino)-1-oxopropan-2-ylidene]-3H-1,4-benzothiazin-4-yl]ethyl 2-methylprop-2-enoate has a molecular weight of 360.48 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[1-(ethylamino)-1-oxopropan-2-ylidene]-3H-1,4-benzothiazin-4-yl]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 143310566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).