N-(5-ethyl-1,3-oxazol-2-yl)-3-methoxy-1,2-thiazole-5-sulfonamide

C9H11N3O4S2 — CID 167831524

IUPACN-(5-ethyl-1,3-oxazol-2-yl)-3-methoxy-1,2-thiazole-5-sulfonamide
SMILESCCc1cnc(NS(=O)(=O)c2cc(OC)ns2)o1
InChIInChI=1S/C9H11N3O4S2/c1-3-6-5-10-9(16-6)12-18(13,14)8-4-7(15-2)11-17-8/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyYKCMYIFYHAXNBN-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.50
Rot. Bonds5

About N-(5-ethyl-1,3-oxazol-2-yl)-3-methoxy-1,2-thiazole-5-sulfonamide

N-(5-ethyl-1,3-oxazol-2-yl)-3-methoxy-1,2-thiazole-5-sulfonamide (PubChem CID 167831524) has the molecular formula C9H11N3O4S2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(5-ethyl-1,3-oxazol-2-yl)-3-methoxy-1,2-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3-oxazol-2-yl)-3-methoxy-1,2-thiazole-5-sulfonamide
PubChem CID167831524
Molecular FormulaC9H11N3O4S2
Molecular Weight289.34 g/mol
Exact Mass289.02
IUPAC NameN-(5-ethyl-1,3-oxazol-2-yl)-3-methoxy-1,2-thiazole-5-sulfonamide
SMILESCCc1cnc(NS(=O)(=O)c2cc(OC)ns2)o1
InChIInChI=1S/C9H11N3O4S2/c1-3-6-5-10-9(16-6)12-18(13,14)8-4-7(15-2)11-17-8/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyYKCMYIFYHAXNBN-UHFFFAOYSA-N
XLogP1.50
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3-oxazol-2-yl)-3-methoxy-1,2-thiazole-5-sulfonamide?
The IUPAC name of N-(5-ethyl-1,3-oxazol-2-yl)-3-methoxy-1,2-thiazole-5-sulfonamide (CID 167831524) is N-(5-ethyl-1,3-oxazol-2-yl)-3-methoxy-1,2-thiazole-5-sulfonamide.
What is the SMILES notation for N-(5-ethyl-1,3-oxazol-2-yl)-3-methoxy-1,2-thiazole-5-sulfonamide?
The canonical SMILES for N-(5-ethyl-1,3-oxazol-2-yl)-3-methoxy-1,2-thiazole-5-sulfonamide is CCc1cnc(NS(=O)(=O)c2cc(OC)ns2)o1.
What is the InChIKey of N-(5-ethyl-1,3-oxazol-2-yl)-3-methoxy-1,2-thiazole-5-sulfonamide?
The InChIKey is YKCMYIFYHAXNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4S2/c1-3-6-5-10-9(16-6)12-18(13,14)8-4-7(15-2)11-17-8/h4-5H,3H2,1-2H3,(H,10,12).
What are the key properties of N-(5-ethyl-1,3-oxazol-2-yl)-3-methoxy-1,2-thiazole-5-sulfonamide?
N-(5-ethyl-1,3-oxazol-2-yl)-3-methoxy-1,2-thiazole-5-sulfonamide has a molecular weight of 289.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3-oxazol-2-yl)-3-methoxy-1,2-thiazole-5-sulfonamide is sourced from PubChem (CID 167831524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).