N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C9H8FN3O3S2 — CID 65480687

IUPACN-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)Nc1ccc(F)cn1
InChIInChI=1S/C9H8FN3O3S2/c1-5-8(17-9(14)12-5)18(15,16)13-7-3-2-6(10)4-11-7/h2-4H,1H3,(H,11,13)(H,12,14)
InChIKeyPOGQDBKGCGAGEQ-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.08
Rot. Bonds3

About N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 65480687) has the molecular formula C9H8FN3O3S2 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID65480687
Molecular FormulaC9H8FN3O3S2
Molecular Weight289.31 g/mol
Exact Mass289.00
IUPAC NameN-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)Nc1ccc(F)cn1
InChIInChI=1S/C9H8FN3O3S2/c1-5-8(17-9(14)12-5)18(15,16)13-7-3-2-6(10)4-11-7/h2-4H,1H3,(H,11,13)(H,12,14)
InChIKeyPOGQDBKGCGAGEQ-UHFFFAOYSA-N
XLogP1.08
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 65480687) is N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)Nc1ccc(F)cn1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is POGQDBKGCGAGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O3S2/c1-5-8(17-9(14)12-5)18(15,16)13-7-3-2-6(10)4-11-7/h2-4H,1H3,(H,11,13)(H,12,14).
What are the key properties of N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 289.31 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 65480687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).