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

C15H13N3O3S — CID 1426424

IUPACmethyl (2S)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate
SMILESCOC(=O)[C@H](C)n1nnc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C15H13N3O3S/c1-9(15(20)21-2)18-14(19)11-8-12(22-13(11)16-17-18)10-6-4-3-5-7-10/h3-9H,1-2H3/t9-/m0/s1
InChIKeyKPVSTLSJDCJCAM-VIFPVBQESA-N
MW315.35 g/mol
LogP2.25
Rot. Bonds3

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

methyl (2S)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate (PubChem CID 1426424) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is methyl (2S)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate
PubChem CID1426424
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Namemethyl (2S)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate
SMILESCOC(=O)[C@H](C)n1nnc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C15H13N3O3S/c1-9(15(20)21-2)18-14(19)11-8-12(22-13(11)16-17-18)10-6-4-3-5-7-10/h3-9H,1-2H3/t9-/m0/s1
InChIKeyKPVSTLSJDCJCAM-VIFPVBQESA-N
XLogP2.25
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl (2S)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2R)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate
CID 1426430
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide
CID 40840702
(2R)-N-(4-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide
CID 7540813
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide
CID 40776195
2-methylpropyl 2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetate
CID 1426420
methyl (2S)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoate
CID 725204
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide
CID 28527465
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 44640223
2-ethoxyethyl 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate
CID 4166482
(2S)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 1412653
(2S)-N-(4-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 7708724
(2R)-N-(2-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 7730268

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate?
The IUPAC name of methyl (2S)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate (CID 1426424) is methyl (2S)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate.
What is the SMILES notation for methyl (2S)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate?
The canonical SMILES for methyl (2S)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate is COC(=O)[C@H](C)n1nnc2sc(-c3ccccc3)cc2c1=O.
What is the InChIKey of methyl (2S)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate?
The InChIKey is KPVSTLSJDCJCAM-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-9(15(20)21-2)18-14(19)11-8-12(22-13(11)16-17-18)10-6-4-3-5-7-10/h3-9H,1-2H3/t9-/m0/s1.
What are the key properties of methyl (2S)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate?
methyl (2S)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate has a molecular weight of 315.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate is sourced from PubChem (CID 1426424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).