N-(2-fluorophenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide

C15H12FN3O2S — CID 20889991

IUPACN-(2-fluorophenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ncccc21)Nc1ccccc1F
InChIInChI=1S/C15H12FN3O2S/c16-10-4-1-2-5-11(10)18-13(20)8-19-12-6-3-7-17-15(12)22-9-14(19)21/h1-7H,8-9H2,(H,18,20)
InChIKeyPIIIUJWNPVJTKK-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.30
Rot. Bonds3

About N-(2-fluorophenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide

N-(2-fluorophenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide (PubChem CID 20889991) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
PubChem CID20889991
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC NameN-(2-fluorophenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ncccc21)Nc1ccccc1F
InChIInChI=1S/C15H12FN3O2S/c16-10-4-1-2-5-11(10)18-13(20)8-19-12-6-3-7-17-15(12)22-9-14(19)21/h1-7H,8-9H2,(H,18,20)
InChIKeyPIIIUJWNPVJTKK-UHFFFAOYSA-N
XLogP2.30
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide (CID 20889991) is N-(2-fluorophenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide is O=C(CN1C(=O)CSc2ncccc21)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The InChIKey is PIIIUJWNPVJTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c16-10-4-1-2-5-11(10)18-13(20)8-19-12-6-3-7-17-15(12)22-9-14(19)21/h1-7H,8-9H2,(H,18,20).
What are the key properties of N-(2-fluorophenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
N-(2-fluorophenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide has a molecular weight of 317.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide is sourced from PubChem (CID 20889991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).