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

C17H16FN3O2S — CID 53148510

IUPACN-[(4-fluorophenyl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide
SMILESCN1C(=O)C(CC(=O)NCc2ccc(F)cc2)Sc2ncccc21
InChIInChI=1S/C17H16FN3O2S/c1-21-13-3-2-8-19-16(13)24-14(17(21)23)9-15(22)20-10-11-4-6-12(18)7-5-11/h2-8,14H,9-10H2,1H3,(H,20,22)
InChIKeyPEXLXDUWHKZRHR-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.36
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide (PubChem CID 53148510) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide
PubChem CID53148510
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide
SMILESCN1C(=O)C(CC(=O)NCc2ccc(F)cc2)Sc2ncccc21
InChIInChI=1S/C17H16FN3O2S/c1-21-13-3-2-8-19-16(13)24-14(17(21)23)9-15(22)20-10-11-4-6-12(18)7-5-11/h2-8,14H,9-10H2,1H3,(H,20,22)
InChIKeyPEXLXDUWHKZRHR-UHFFFAOYSA-N
XLogP2.36
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide (CID 53148510) is N-[(4-fluorophenyl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide is CN1C(=O)C(CC(=O)NCc2ccc(F)cc2)Sc2ncccc21.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide?
The InChIKey is PEXLXDUWHKZRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-21-13-3-2-8-19-16(13)24-14(17(21)23)9-15(22)20-10-11-4-6-12(18)7-5-11/h2-8,14H,9-10H2,1H3,(H,20,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide has a molecular weight of 345.40 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide is sourced from PubChem (CID 53148510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).