N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide

C11H13N3O3S2 — CID 61475746

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCc1nc(NS(=O)(=O)c2ccc(=O)[nH]c2)sc1C
InChIInChI=1S/C11H13N3O3S2/c1-3-9-7(2)18-11(13-9)14-19(16,17)8-4-5-10(15)12-6-8/h4-6H,3H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyNPEMGZJLXGBFRA-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.50
Rot. Bonds4

About N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 61475746) has the molecular formula C11H13N3O3S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID61475746
Molecular FormulaC11H13N3O3S2
Molecular Weight299.38 g/mol
Exact Mass299.04
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCc1nc(NS(=O)(=O)c2ccc(=O)[nH]c2)sc1C
InChIInChI=1S/C11H13N3O3S2/c1-3-9-7(2)18-11(13-9)14-19(16,17)8-4-5-10(15)12-6-8/h4-6H,3H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyNPEMGZJLXGBFRA-UHFFFAOYSA-N
XLogP1.50
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide (CID 61475746) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide is CCc1nc(NS(=O)(=O)c2ccc(=O)[nH]c2)sc1C.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is NPEMGZJLXGBFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S2/c1-3-9-7(2)18-11(13-9)14-19(16,17)8-4-5-10(15)12-6-8/h4-6H,3H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 299.38 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 61475746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).