N-(1-methyl-4-oxopyrazolo[5,4-d][1,3]thiazin-6-yl)benzamide

C13H10N4O2S — CID 2810067

IUPACN-(1-methyl-4-oxopyrazolo[5,4-d][1,3]thiazin-6-yl)benzamide
SMILESCn1ncc2c(=O)sc(NC(=O)c3ccccc3)nc21
InChIInChI=1S/C13H10N4O2S/c1-17-10-9(7-14-17)12(19)20-13(15-10)16-11(18)8-5-3-2-4-6-8/h2-7H,1H3,(H,15,16,18)
InChIKeyFFHLQHUMFYNRTA-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.64
Rot. Bonds2

About N-(1-methyl-4-oxopyrazolo[5,4-d][1,3]thiazin-6-yl)benzamide

N-(1-methyl-4-oxopyrazolo[5,4-d][1,3]thiazin-6-yl)benzamide (PubChem CID 2810067) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-(1-methyl-4-oxopyrazolo[5,4-d][1,3]thiazin-6-yl)benzamide.

Molecular Properties

Compound NameN-(1-methyl-4-oxopyrazolo[5,4-d][1,3]thiazin-6-yl)benzamide
PubChem CID2810067
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC NameN-(1-methyl-4-oxopyrazolo[5,4-d][1,3]thiazin-6-yl)benzamide
SMILESCn1ncc2c(=O)sc(NC(=O)c3ccccc3)nc21
InChIInChI=1S/C13H10N4O2S/c1-17-10-9(7-14-17)12(19)20-13(15-10)16-11(18)8-5-3-2-4-6-8/h2-7H,1H3,(H,15,16,18)
InChIKeyFFHLQHUMFYNRTA-UHFFFAOYSA-N
XLogP1.64
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4-oxopyrazolo[5,4-d][1,3]thiazin-6-yl)benzamide?
The IUPAC name of N-(1-methyl-4-oxopyrazolo[5,4-d][1,3]thiazin-6-yl)benzamide (CID 2810067) is N-(1-methyl-4-oxopyrazolo[5,4-d][1,3]thiazin-6-yl)benzamide.
What is the SMILES notation for N-(1-methyl-4-oxopyrazolo[5,4-d][1,3]thiazin-6-yl)benzamide?
The canonical SMILES for N-(1-methyl-4-oxopyrazolo[5,4-d][1,3]thiazin-6-yl)benzamide is Cn1ncc2c(=O)sc(NC(=O)c3ccccc3)nc21.
What is the InChIKey of N-(1-methyl-4-oxopyrazolo[5,4-d][1,3]thiazin-6-yl)benzamide?
The InChIKey is FFHLQHUMFYNRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c1-17-10-9(7-14-17)12(19)20-13(15-10)16-11(18)8-5-3-2-4-6-8/h2-7H,1H3,(H,15,16,18).
What are the key properties of N-(1-methyl-4-oxopyrazolo[5,4-d][1,3]thiazin-6-yl)benzamide?
N-(1-methyl-4-oxopyrazolo[5,4-d][1,3]thiazin-6-yl)benzamide has a molecular weight of 286.32 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4-oxopyrazolo[5,4-d][1,3]thiazin-6-yl)benzamide is sourced from PubChem (CID 2810067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).