ethyl (2R)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate

C16H15N3O3S — CID 1426430

IUPACethyl (2R)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate
SMILESCCOC(=O)[C@@H](C)n1nnc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C16H15N3O3S/c1-3-22-16(21)10(2)19-15(20)12-9-13(23-14(12)17-18-19)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3/t10-/m1/s1
InChIKeyUGVOIQMMDMPCRZ-SNVBAGLBSA-N
MW329.38 g/mol
LogP2.64
Rot. Bonds4

About ethyl (2R)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate

ethyl (2R)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate (PubChem CID 1426430) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is ethyl (2R)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate
PubChem CID1426430
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Nameethyl (2R)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate
SMILESCCOC(=O)[C@@H](C)n1nnc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C16H15N3O3S/c1-3-22-16(21)10(2)19-15(20)12-9-13(23-14(12)17-18-19)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3/t10-/m1/s1
InChIKeyUGVOIQMMDMPCRZ-SNVBAGLBSA-N
XLogP2.64
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl (2S)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate
CID 1426424
(2R)-N-(4-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide
CID 7540813
2-methylpropyl 2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetate
CID 1426420
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide
CID 40776195
2-ethoxyethyl 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate
CID 4166482
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide
CID 40840702
ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)propanoate
CID 3810481
butan-2-yl 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate
CID 20998011
N-(2-ethoxyphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 44638739
N-(2-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide
CID 1426270
butyl 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetate
CID 7671833
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide
CID 28527465

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate?
The IUPAC name of ethyl (2R)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate (CID 1426430) is ethyl (2R)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate.
What is the SMILES notation for ethyl (2R)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate?
The canonical SMILES for ethyl (2R)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate is CCOC(=O)[C@@H](C)n1nnc2sc(-c3ccccc3)cc2c1=O.
What is the InChIKey of ethyl (2R)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate?
The InChIKey is UGVOIQMMDMPCRZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-3-22-16(21)10(2)19-15(20)12-9-13(23-14(12)17-18-19)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3/t10-/m1/s1.
What are the key properties of ethyl (2R)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate?
ethyl (2R)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate has a molecular weight of 329.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate is sourced from PubChem (CID 1426430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).