2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

C18H21N3O2S2 — CID 20974403

IUPAC2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(C)Cc1cc2c(s1)SCC(=O)N2CC(=O)NCc1cccnc1
InChIInChI=1S/C18H21N3O2S2/c1-12(2)6-14-7-15-18(25-14)24-11-17(23)21(15)10-16(22)20-9-13-4-3-5-19-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,20,22)
InChIKeyUISJZSLULMOJCC-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.10
Rot. Bonds6

About 2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 20974403) has the molecular formula C18H21N3O2S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID20974403
Molecular FormulaC18H21N3O2S2
Molecular Weight375.52 g/mol
Exact Mass375.11
IUPAC Name2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(C)Cc1cc2c(s1)SCC(=O)N2CC(=O)NCc1cccnc1
InChIInChI=1S/C18H21N3O2S2/c1-12(2)6-14-7-15-18(25-14)24-11-17(23)21(15)10-16(22)20-9-13-4-3-5-19-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,20,22)
InChIKeyUISJZSLULMOJCC-UHFFFAOYSA-N
XLogP3.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 20974403) is 2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is CC(C)Cc1cc2c(s1)SCC(=O)N2CC(=O)NCc1cccnc1.
What is the InChIKey of 2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is UISJZSLULMOJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S2/c1-12(2)6-14-7-15-18(25-14)24-11-17(23)21(15)10-16(22)20-9-13-4-3-5-19-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,20,22).
What are the key properties of 2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 375.52 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 20974403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).