N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-2-sulfonamide

C8H9N3O3S2 — CID 22998450

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-2-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2nccs2)c1C
InChIInChI=1S/C8H9N3O3S2/c1-5-6(2)10-14-7(5)11-16(12,13)8-9-3-4-15-8/h3-4,11H,1-2H3
InChIKeyKCCJLGGXZQOUDA-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.55
Rot. Bonds3

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-2-sulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-2-sulfonamide (PubChem CID 22998450) has the molecular formula C8H9N3O3S2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-2-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-2-sulfonamide
PubChem CID22998450
Molecular FormulaC8H9N3O3S2
Molecular Weight259.31 g/mol
Exact Mass259.01
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-2-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2nccs2)c1C
InChIInChI=1S/C8H9N3O3S2/c1-5-6(2)10-14-7(5)11-16(12,13)8-9-3-4-15-8/h3-4,11H,1-2H3
InChIKeyKCCJLGGXZQOUDA-UHFFFAOYSA-N
XLogP1.55
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-1,3-thiazole-2-sulfonamide
CID 22998496
methyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate
CID 10615322
2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidine-5-sulfonamide
CID 65486818
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1,3-thiazole-2-sulfonamide
CID 126800198
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 5344
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxybenzenesulfonamide
CID 10015852
2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-3-carboxamide
CID 70059267
5-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(methylamino)pyridine-3-sulfonamide
CID 65480779
N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 65480577
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-propan-2-ylbenzenesulfonamide
CID 3765964
4-(dimethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 14973488
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(ethylamino)pyridine-4-sulfonamide
CID 65481175

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-2-sulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-2-sulfonamide (CID 22998450) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-2-sulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-2-sulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-2-sulfonamide is Cc1noc(NS(=O)(=O)c2nccs2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-2-sulfonamide?
The InChIKey is KCCJLGGXZQOUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3S2/c1-5-6(2)10-14-7(5)11-16(12,13)8-9-3-4-15-8/h3-4,11H,1-2H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-2-sulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-2-sulfonamide has a molecular weight of 259.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 22998450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).