6-[2-(1,1-dioxo-2,3-dihydrothieno[3,2-b][1,4]thiazin-4-yl)-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one

C16H16N4O4S2 — CID 166321331

IUPAC6-[2-(1,1-dioxo-2,3-dihydrothieno[3,2-b][1,4]thiazin-4-yl)-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCS(=O)(=O)c2ccsc21
InChIInChI=1S/C16H16N4O4S2/c1-9-11(10(2)20-13(17-9)8-14(21)18-20)7-15(22)19-4-6-26(23,24)12-3-5-25-16(12)19/h3,5,8H,4,6-7H2,1-2H3,(H,18,21)
InChIKeyWZTYEZPSOKBPKU-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.06
Rot. Bonds2

About 6-[2-(1,1-dioxo-2,3-dihydrothieno[3,2-b][1,4]thiazin-4-yl)-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one

6-[2-(1,1-dioxo-2,3-dihydrothieno[3,2-b][1,4]thiazin-4-yl)-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one (PubChem CID 166321331) has the molecular formula C16H16N4O4S2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-[2-(1,1-dioxo-2,3-dihydrothieno[3,2-b][1,4]thiazin-4-yl)-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one.

Molecular Properties

Compound Name6-[2-(1,1-dioxo-2,3-dihydrothieno[3,2-b][1,4]thiazin-4-yl)-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
PubChem CID166321331
Molecular FormulaC16H16N4O4S2
Molecular Weight392.46 g/mol
Exact Mass392.06
IUPAC Name6-[2-(1,1-dioxo-2,3-dihydrothieno[3,2-b][1,4]thiazin-4-yl)-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCS(=O)(=O)c2ccsc21
InChIInChI=1S/C16H16N4O4S2/c1-9-11(10(2)20-13(17-9)8-14(21)18-20)7-15(22)19-4-6-26(23,24)12-3-5-25-16(12)19/h3,5,8H,4,6-7H2,1-2H3,(H,18,21)
InChIKeyWZTYEZPSOKBPKU-UHFFFAOYSA-N
XLogP1.06
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[2-(1,1-dioxo-2,3-dihydrothieno[3,2-b][1,4]thiazin-4-yl)-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(1,1-dioxo-2,3-dihydrothieno[3,2-b][1,4]thiazin-4-yl)-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The IUPAC name of 6-[2-(1,1-dioxo-2,3-dihydrothieno[3,2-b][1,4]thiazin-4-yl)-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one (CID 166321331) is 6-[2-(1,1-dioxo-2,3-dihydrothieno[3,2-b][1,4]thiazin-4-yl)-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one.
What is the SMILES notation for 6-[2-(1,1-dioxo-2,3-dihydrothieno[3,2-b][1,4]thiazin-4-yl)-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The canonical SMILES for 6-[2-(1,1-dioxo-2,3-dihydrothieno[3,2-b][1,4]thiazin-4-yl)-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one is Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCS(=O)(=O)c2ccsc21.
What is the InChIKey of 6-[2-(1,1-dioxo-2,3-dihydrothieno[3,2-b][1,4]thiazin-4-yl)-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The InChIKey is WZTYEZPSOKBPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S2/c1-9-11(10(2)20-13(17-9)8-14(21)18-20)7-15(22)19-4-6-26(23,24)12-3-5-25-16(12)19/h3,5,8H,4,6-7H2,1-2H3,(H,18,21).
What are the key properties of 6-[2-(1,1-dioxo-2,3-dihydrothieno[3,2-b][1,4]thiazin-4-yl)-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one?
6-[2-(1,1-dioxo-2,3-dihydrothieno[3,2-b][1,4]thiazin-4-yl)-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one has a molecular weight of 392.46 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1,1-dioxo-2,3-dihydrothieno[3,2-b][1,4]thiazin-4-yl)-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one is sourced from PubChem (CID 166321331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).