6-ethyl-2-[(Z)-2-phenylethenyl]thieno[2,3-d][1,3]oxazin-4-one

C16H13NO2S — CID 92993671

IUPAC6-ethyl-2-[(Z)-2-phenylethenyl]thieno[2,3-d][1,3]oxazin-4-one
SMILESCCc1cc2c(=O)oc(/C=C\c3ccccc3)nc2s1
InChIInChI=1S/C16H13NO2S/c1-2-12-10-13-15(20-12)17-14(19-16(13)18)9-8-11-6-4-3-5-7-11/h3-10H,2H2,1H3/b9-8-
InChIKeyKBORNGWAAUERAS-HJWRWDBZSA-N
MW283.35 g/mol
LogP3.98
Rot. Bonds3

About 6-ethyl-2-[(Z)-2-phenylethenyl]thieno[2,3-d][1,3]oxazin-4-one

6-ethyl-2-[(Z)-2-phenylethenyl]thieno[2,3-d][1,3]oxazin-4-one (PubChem CID 92993671) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is 6-ethyl-2-[(Z)-2-phenylethenyl]thieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name6-ethyl-2-[(Z)-2-phenylethenyl]thieno[2,3-d][1,3]oxazin-4-one
PubChem CID92993671
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name6-ethyl-2-[(Z)-2-phenylethenyl]thieno[2,3-d][1,3]oxazin-4-one
SMILESCCc1cc2c(=O)oc(/C=C\c3ccccc3)nc2s1
InChIInChI=1S/C16H13NO2S/c1-2-12-10-13-15(20-12)17-14(19-16(13)18)9-8-11-6-4-3-5-7-11/h3-10H,2H2,1H3/b9-8-
InChIKeyKBORNGWAAUERAS-HJWRWDBZSA-N
XLogP3.98
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-(2-phenylethenyl)-3,1-benzoxazin-4-one
CID 2878832
6-iodo-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one
CID 53329594
6-ethyl-3-[(E)-3-phenylprop-2-enyl]thieno[2,3-d]pyrimidin-4-one
CID 18100074
5-(2-methylpropyl)-2-(2-phenylethenyl)thieno[2,3-d][1,3]oxazin-4-one
CID 4046501
5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-6-one
CID 11790547
(10E)-10-benzylidene-5-ethyl-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
CID 8814536
6-iodo-2-[(E)-2-(4-methylphenyl)ethenyl]-3,1-benzoxazin-4-one
CID 53329596
6-ethyl-2-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 16627332
5,8-dichloro-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one
CID 134096982
3-[(Z)-2-phenylethenyl]isochromen-1-one
CID 10681992
6-ethyl-1H-thieno[2,3-d][1,3]oxazine-2,4-dione
CID 170859770
2-[2-(4-nitrophenyl)ethenyl]-6-[[2-[2-(4-nitrophenyl)ethenyl]-4-oxo-3,1-benzoxazin-6-yl]methyl]-3,1-benzoxazin-4-one
CID 3106708

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[(Z)-2-phenylethenyl]thieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 6-ethyl-2-[(Z)-2-phenylethenyl]thieno[2,3-d][1,3]oxazin-4-one (CID 92993671) is 6-ethyl-2-[(Z)-2-phenylethenyl]thieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 6-ethyl-2-[(Z)-2-phenylethenyl]thieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 6-ethyl-2-[(Z)-2-phenylethenyl]thieno[2,3-d][1,3]oxazin-4-one is CCc1cc2c(=O)oc(/C=C\c3ccccc3)nc2s1.
What is the InChIKey of 6-ethyl-2-[(Z)-2-phenylethenyl]thieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is KBORNGWAAUERAS-HJWRWDBZSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-2-12-10-13-15(20-12)17-14(19-16(13)18)9-8-11-6-4-3-5-7-11/h3-10H,2H2,1H3/b9-8-.
What are the key properties of 6-ethyl-2-[(Z)-2-phenylethenyl]thieno[2,3-d][1,3]oxazin-4-one?
6-ethyl-2-[(Z)-2-phenylethenyl]thieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 283.35 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[(Z)-2-phenylethenyl]thieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 92993671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).