N-[6-(6-fluoropyridine-3-carbonyl)-7-oxo-4H-pyrano[3,4-d][1,3]thiazol-2-yl]acetamide

C14H10FN3O4S — CID 87423467

IUPACN-[6-(6-fluoropyridine-3-carbonyl)-7-oxo-4H-pyrano[3,4-d][1,3]thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)C(=O)C(C(=O)c1ccc(F)nc1)OC2
InChIInChI=1S/C14H10FN3O4S/c1-6(19)17-14-18-8-5-22-12(11(21)13(8)23-14)10(20)7-2-3-9(15)16-4-7/h2-4,12H,5H2,1H3,(H,17,18,19)
InChIKeyUBDJERDDBPVIPM-UHFFFAOYSA-N
MW335.32 g/mol
LogP1.60
Rot. Bonds3

About N-[6-(6-fluoropyridine-3-carbonyl)-7-oxo-4H-pyrano[3,4-d][1,3]thiazol-2-yl]acetamide

N-[6-(6-fluoropyridine-3-carbonyl)-7-oxo-4H-pyrano[3,4-d][1,3]thiazol-2-yl]acetamide (PubChem CID 87423467) has the molecular formula C14H10FN3O4S and a molecular weight of 335.32 g/mol. Its IUPAC name is N-[6-(6-fluoropyridine-3-carbonyl)-7-oxo-4H-pyrano[3,4-d][1,3]thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(6-fluoropyridine-3-carbonyl)-7-oxo-4H-pyrano[3,4-d][1,3]thiazol-2-yl]acetamide
PubChem CID87423467
Molecular FormulaC14H10FN3O4S
Molecular Weight335.32 g/mol
Exact Mass335.04
IUPAC NameN-[6-(6-fluoropyridine-3-carbonyl)-7-oxo-4H-pyrano[3,4-d][1,3]thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)C(=O)C(C(=O)c1ccc(F)nc1)OC2
InChIInChI=1S/C14H10FN3O4S/c1-6(19)17-14-18-8-5-22-12(11(21)13(8)23-14)10(20)7-2-3-9(15)16-4-7/h2-4,12H,5H2,1H3,(H,17,18,19)
InChIKeyUBDJERDDBPVIPM-UHFFFAOYSA-N
XLogP1.60
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(6-fluoropyridine-3-carbonyl)-7-oxo-4H-pyrano[3,4-d][1,3]thiazol-2-yl]acetamide?
The IUPAC name of N-[6-(6-fluoropyridine-3-carbonyl)-7-oxo-4H-pyrano[3,4-d][1,3]thiazol-2-yl]acetamide (CID 87423467) is N-[6-(6-fluoropyridine-3-carbonyl)-7-oxo-4H-pyrano[3,4-d][1,3]thiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-(6-fluoropyridine-3-carbonyl)-7-oxo-4H-pyrano[3,4-d][1,3]thiazol-2-yl]acetamide?
The canonical SMILES for N-[6-(6-fluoropyridine-3-carbonyl)-7-oxo-4H-pyrano[3,4-d][1,3]thiazol-2-yl]acetamide is CC(=O)Nc1nc2c(s1)C(=O)C(C(=O)c1ccc(F)nc1)OC2.
What is the InChIKey of N-[6-(6-fluoropyridine-3-carbonyl)-7-oxo-4H-pyrano[3,4-d][1,3]thiazol-2-yl]acetamide?
The InChIKey is UBDJERDDBPVIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O4S/c1-6(19)17-14-18-8-5-22-12(11(21)13(8)23-14)10(20)7-2-3-9(15)16-4-7/h2-4,12H,5H2,1H3,(H,17,18,19).
What are the key properties of N-[6-(6-fluoropyridine-3-carbonyl)-7-oxo-4H-pyrano[3,4-d][1,3]thiazol-2-yl]acetamide?
N-[6-(6-fluoropyridine-3-carbonyl)-7-oxo-4H-pyrano[3,4-d][1,3]thiazol-2-yl]acetamide has a molecular weight of 335.32 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6-fluoropyridine-3-carbonyl)-7-oxo-4H-pyrano[3,4-d][1,3]thiazol-2-yl]acetamide is sourced from PubChem (CID 87423467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).