1-methyl-2,2-dioxo-7-phenylpyrazolo[5,4-c]thiazin-4-one

C12H11N3O3S — CID 10612565

IUPAC1-methyl-2,2-dioxo-7-phenylpyrazolo[5,4-c]thiazin-4-one
SMILESCN1c2c(cnn2-c2ccccc2)C(=O)CS1(=O)=O
InChIInChI=1S/C12H11N3O3S/c1-14-12-10(11(16)8-19(14,17)18)7-13-15(12)9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyZHEPCIVPAAMXFS-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.83
Rot. Bonds1

About 1-methyl-2,2-dioxo-7-phenylpyrazolo[5,4-c]thiazin-4-one

1-methyl-2,2-dioxo-7-phenylpyrazolo[5,4-c]thiazin-4-one (PubChem CID 10612565) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-methyl-2,2-dioxo-7-phenylpyrazolo[5,4-c]thiazin-4-one.

Molecular Properties

Compound Name1-methyl-2,2-dioxo-7-phenylpyrazolo[5,4-c]thiazin-4-one
PubChem CID10612565
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name1-methyl-2,2-dioxo-7-phenylpyrazolo[5,4-c]thiazin-4-one
SMILESCN1c2c(cnn2-c2ccccc2)C(=O)CS1(=O)=O
InChIInChI=1S/C12H11N3O3S/c1-14-12-10(11(16)8-19(14,17)18)7-13-15(12)9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyZHEPCIVPAAMXFS-UHFFFAOYSA-N
XLogP0.83
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 102097080
8-methyl-5-phenyl-4,5,9,11-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,10-tetraene
CID 175894939
(9R)-3-phenyl-1,3,4,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2(6),4,10,12,14-pentaene-7,16-dione
CID 946197
(6S)-6-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 7447090
1-methyl-N-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)piperidin-4-imine
CID 53309524
2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide
CID 157143404
(7R)-7-azido-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one
CID 40522898
8-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-10-phenyl-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,11-trien-7-one
CID 110219460
4-amino-5-(dimethylamino)-2-phenylpyridazin-3-one;hydrochloride
CID 2842592
2-(7-oxo-10-phenyl-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,11-trien-8-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 92581872
20,20-dimethyl-17-phenyl-11,12,16,17-tetrazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1,4,6,8,10,12,14(18),15-octaen-3-one
CID 6406946
4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one
CID 24998005

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,2-dioxo-7-phenylpyrazolo[5,4-c]thiazin-4-one?
The IUPAC name of 1-methyl-2,2-dioxo-7-phenylpyrazolo[5,4-c]thiazin-4-one (CID 10612565) is 1-methyl-2,2-dioxo-7-phenylpyrazolo[5,4-c]thiazin-4-one.
What is the SMILES notation for 1-methyl-2,2-dioxo-7-phenylpyrazolo[5,4-c]thiazin-4-one?
The canonical SMILES for 1-methyl-2,2-dioxo-7-phenylpyrazolo[5,4-c]thiazin-4-one is CN1c2c(cnn2-c2ccccc2)C(=O)CS1(=O)=O.
What is the InChIKey of 1-methyl-2,2-dioxo-7-phenylpyrazolo[5,4-c]thiazin-4-one?
The InChIKey is ZHEPCIVPAAMXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-14-12-10(11(16)8-19(14,17)18)7-13-15(12)9-5-3-2-4-6-9/h2-7H,8H2,1H3.
What are the key properties of 1-methyl-2,2-dioxo-7-phenylpyrazolo[5,4-c]thiazin-4-one?
1-methyl-2,2-dioxo-7-phenylpyrazolo[5,4-c]thiazin-4-one has a molecular weight of 277.31 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,2-dioxo-7-phenylpyrazolo[5,4-c]thiazin-4-one is sourced from PubChem (CID 10612565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).