ethyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate

C15H15N3O3S — CID 15183429

IUPACethyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate
SMILESCCOC(=O)c1c(N)nn2c1SC(=O)CC2c1ccccc1
InChIInChI=1S/C15H15N3O3S/c1-2-21-15(20)12-13(16)17-18-10(8-11(19)22-14(12)18)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H2,16,17)
InChIKeyTYPQGSSPBXGWTF-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.25
Rot. Bonds3

About ethyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate

ethyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate (PubChem CID 15183429) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is ethyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate
PubChem CID15183429
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Nameethyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate
SMILESCCOC(=O)c1c(N)nn2c1SC(=O)CC2c1ccccc1
InChIInChI=1S/C15H15N3O3S/c1-2-21-15(20)12-13(16)17-18-10(8-11(19)22-14(12)18)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H2,16,17)
InChIKeyTYPQGSSPBXGWTF-UHFFFAOYSA-N
XLogP2.25
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate?
The IUPAC name of ethyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate (CID 15183429) is ethyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate is CCOC(=O)c1c(N)nn2c1SC(=O)CC2c1ccccc1.
What is the InChIKey of ethyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate?
The InChIKey is TYPQGSSPBXGWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-2-21-15(20)12-13(16)17-18-10(8-11(19)22-14(12)18)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H2,16,17).
What are the key properties of ethyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate?
ethyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate has a molecular weight of 317.37 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate is sourced from PubChem (CID 15183429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).