(E)-N-[(1S)-1-(5-methyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]-3-pyridin-2-ylprop-2-enamide

C17H15N3O3S — CID 6478348

IUPAC(E)-N-[(1S)-1-(5-methyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]-3-pyridin-2-ylprop-2-enamide
SMILESCc1csc2nc([C@H](C)NC(=O)/C=C/c3ccccn3)oc(=O)c12
InChIInChI=1S/C17H15N3O3S/c1-10-9-24-16-14(10)17(22)23-15(20-16)11(2)19-13(21)7-6-12-5-3-4-8-18-12/h3-9,11H,1-2H3,(H,19,21)/b7-6+/t11-/m0/s1
InChIKeyIZEOZHHCGSUVNF-MLRMMBSGSA-N
MW341.39 g/mol
LogP2.84
Rot. Bonds4

About (E)-N-[(1S)-1-(5-methyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]-3-pyridin-2-ylprop-2-enamide

(E)-N-[(1S)-1-(5-methyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]-3-pyridin-2-ylprop-2-enamide (PubChem CID 6478348) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is (E)-N-[(1S)-1-(5-methyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]-3-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1S)-1-(5-methyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]-3-pyridin-2-ylprop-2-enamide
PubChem CID6478348
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name(E)-N-[(1S)-1-(5-methyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]-3-pyridin-2-ylprop-2-enamide
SMILESCc1csc2nc([C@H](C)NC(=O)/C=C/c3ccccn3)oc(=O)c12
InChIInChI=1S/C17H15N3O3S/c1-10-9-24-16-14(10)17(22)23-15(20-16)11(2)19-13(21)7-6-12-5-3-4-8-18-12/h3-9,11H,1-2H3,(H,19,21)/b7-6+/t11-/m0/s1
InChIKeyIZEOZHHCGSUVNF-MLRMMBSGSA-N
XLogP2.84
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 4,5-dimethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
CID 1672531
(E)-N-[(1S)-1-(5-methyl-4-oxo-thieno[2,3-d][1,3]oxazin-2-yl)ethyl]-3-(1-methylpyrrol-2-yl)prop-2-enamide
CID 6478347
(E)-N-[(S)-1-(5-Methyl-4-oxo-4H-thieno[2,3-d][1,3]oxazin-2-yl)-ethyl]-3-quinolin-4-yl-acrylamide
CID 6478349
2-[(Pyridin-3-ylcarbonyl)amino]ethyl thiophene-2-carboxylate
CID 649732
Methyl 3-(isonicotinamido)thiophene-2-carboxylate
CID 897624
[2-[(3-Ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7776315
Ethyl 4-ethyl-5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate
CID 840043
2-Oxo-2-((thiophen-2-ylmethyl)amino)ethyl 2-(methylthio)nicotinate
CID 2693421
Methyl 3-({[(2-pyridin-4-ylethyl)thio]acetyl}amino)thiophene-2-carboxylate
CID 3690438
Methyl 3-({[(2-pyridin-2-ylethyl)thio]acetyl}amino)thiophene-2-carboxylate
CID 4394906
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7776268
Methyl 4,5-dimethyl-2-(3-pyridylcarbonylamino)thiophene-3-carboxylate
CID 705283

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1S)-1-(5-methyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]-3-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[(1S)-1-(5-methyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]-3-pyridin-2-ylprop-2-enamide (CID 6478348) is (E)-N-[(1S)-1-(5-methyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]-3-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(1S)-1-(5-methyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]-3-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(1S)-1-(5-methyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]-3-pyridin-2-ylprop-2-enamide is Cc1csc2nc([C@H](C)NC(=O)/C=C/c3ccccn3)oc(=O)c12.
What is the InChIKey of (E)-N-[(1S)-1-(5-methyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]-3-pyridin-2-ylprop-2-enamide?
The InChIKey is IZEOZHHCGSUVNF-MLRMMBSGSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-10-9-24-16-14(10)17(22)23-15(20-16)11(2)19-13(21)7-6-12-5-3-4-8-18-12/h3-9,11H,1-2H3,(H,19,21)/b7-6+/t11-/m0/s1.
What are the key properties of (E)-N-[(1S)-1-(5-methyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]-3-pyridin-2-ylprop-2-enamide?
(E)-N-[(1S)-1-(5-methyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]-3-pyridin-2-ylprop-2-enamide has a molecular weight of 341.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1S)-1-(5-methyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]-3-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 6478348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).