2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide

C16H14FN3O2S — CID 108806521

IUPAC2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cc(=O)cc(C)n1CC(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C16H14FN3O2S/c1-9-5-12(21)6-10(2)20(9)8-15(22)19-16-18-13-4-3-11(17)7-14(13)23-16/h3-7H,8H2,1-2H3,(H,18,19,22)
InChIKeyHYGGJOSHTMVOHF-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.85
Rot. Bonds3

About 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide

2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 108806521) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
PubChem CID108806521
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cc(=O)cc(C)n1CC(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C16H14FN3O2S/c1-9-5-12(21)6-10(2)20(9)8-15(22)19-16-18-13-4-3-11(17)7-14(13)23-16/h3-7H,8H2,1-2H3,(H,18,19,22)
InChIKeyHYGGJOSHTMVOHF-UHFFFAOYSA-N
XLogP2.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[6-(4-methylpiperazin-1-yl)sulfonyl-1,3-benzothiazol-2-yl]acetamide
CID 108806558
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetamide
CID 43833252
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 110881885
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 4545064
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide
CID 87424254
ethyl 2-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylacetate
CID 42982352
2-benzylsulfanyl-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 963436
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide
CID 2549979
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 953564
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4879221
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 78826947
4-(2,5-dimethylthiophen-3-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)butanamide
CID 126420574

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide (CID 108806521) is 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide is Cc1cc(=O)cc(C)n1CC(=O)Nc1nc2ccc(F)cc2s1.
What is the InChIKey of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is HYGGJOSHTMVOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-9-5-12(21)6-10(2)20(9)8-15(22)19-16-18-13-4-3-11(17)7-14(13)23-16/h3-7H,8H2,1-2H3,(H,18,19,22).
What are the key properties of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 331.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 108806521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).