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

C14H13N3O3S — CID 15183430

IUPACmethyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate
SMILESCOC(=O)c1c(N)nn2c1SC(=O)CC2c1ccccc1
InChIInChI=1S/C14H13N3O3S/c1-20-14(19)11-12(15)16-17-9(7-10(18)21-13(11)17)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H2,15,16)
InChIKeySPJRNMZBKIYGGJ-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.86
Rot. Bonds2

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

methyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate (PubChem CID 15183430) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is methyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate
PubChem CID15183430
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Namemethyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate
SMILESCOC(=O)c1c(N)nn2c1SC(=O)CC2c1ccccc1
InChIInChI=1S/C14H13N3O3S/c1-20-14(19)11-12(15)16-17-9(7-10(18)21-13(11)17)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H2,15,16)
InChIKeySPJRNMZBKIYGGJ-UHFFFAOYSA-N
XLogP1.86
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 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

Related Compounds

Ethyl 5-amino-1-[(4-fluorophenyl)methyl]-3-methylsulfanylpyrazole-4-carboxylate
CID 80486327
Ethyl 5-amino-1-[(3-fluorophenyl)methyl]-3-methylsulfanylpyrazole-4-carboxylate
CID 80486361
Ethyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate
CID 15183429
methyl 7,7-dimethyl-2-methylsulfanyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 136071721
Methyl 3-amino-5-methylsulfanyl-1-(2-phenylacetyl)pyrazole-4-carboxylate
CID 4118589
Ethyl 3-amino-5-methylsulfanyl-1-(2-phenylacetyl)pyrazole-4-carboxylate
CID 5046862
Ethyl 5-amino-1-[(4-methylphenyl)methyl]-3-methylsulfanylpyrazole-4-carboxylate
CID 80486014
Ethyl 5-amino-1-benzyl-3-methylsulfanylpyrazole-4-carboxylate
CID 80486166
Ethyl 5-amino-1-[(2-methylphenyl)methyl]-3-methylsulfanylpyrazole-4-carboxylate
CID 80486325
Ethyl 5-amino-1-[(3-methylphenyl)methyl]-3-methylsulfanylpyrazole-4-carboxylate
CID 80486326
Ethyl 5-amino-1-benzyl-3-ethylsulfanylpyrazole-4-carboxylate
CID 80486365

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate?
The IUPAC name of methyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate (CID 15183430) is methyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate?
The canonical SMILES for methyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate is COC(=O)c1c(N)nn2c1SC(=O)CC2c1ccccc1.
What is the InChIKey of methyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate?
The InChIKey is SPJRNMZBKIYGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-20-14(19)11-12(15)16-17-9(7-10(18)21-13(11)17)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H2,15,16).
What are the key properties of methyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate?
methyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate has a molecular weight of 303.34 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-oxo-7-phenyl-6,7-dihydropyrazolo[5,1-b][1,3]thiazine-3-carboxylate is sourced from PubChem (CID 15183430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).