N-(2,5-difluorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide

C17H15F2N3O2S — CID 20890150

IUPACN-(2,5-difluorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
SMILESCc1cc(C)c2c(n1)SCC(=O)N2CC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C17H15F2N3O2S/c1-9-5-10(2)20-17-16(9)22(15(24)8-25-17)7-14(23)21-13-6-11(18)3-4-12(13)19/h3-6H,7-8H2,1-2H3,(H,21,23)
InChIKeyCANFMEXQDOVUTA-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.05
Rot. Bonds3

About N-(2,5-difluorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide

N-(2,5-difluorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide (PubChem CID 20890150) has the molecular formula C17H15F2N3O2S and a molecular weight of 363.39 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
PubChem CID20890150
Molecular FormulaC17H15F2N3O2S
Molecular Weight363.39 g/mol
Exact Mass363.09
IUPAC NameN-(2,5-difluorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
SMILESCc1cc(C)c2c(n1)SCC(=O)N2CC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C17H15F2N3O2S/c1-9-5-10(2)20-17-16(9)22(15(24)8-25-17)7-14(23)21-13-6-11(18)3-4-12(13)19/h3-6H,7-8H2,1-2H3,(H,21,23)
InChIKeyCANFMEXQDOVUTA-UHFFFAOYSA-N
XLogP3.05
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide (CID 20890150) is N-(2,5-difluorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide is Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The InChIKey is CANFMEXQDOVUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2S/c1-9-5-10(2)20-17-16(9)22(15(24)8-25-17)7-14(23)21-13-6-11(18)3-4-12(13)19/h3-6H,7-8H2,1-2H3,(H,21,23).
What are the key properties of N-(2,5-difluorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
N-(2,5-difluorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide has a molecular weight of 363.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide is sourced from PubChem (CID 20890150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).