3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-sulfonamide

C9H11N3O3S2 — CID 35764641

IUPAC3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-sulfonamide
SMILESCc1csc(NS(=O)(=O)c2c(C)noc2C)n1
InChIInChI=1S/C9H11N3O3S2/c1-5-4-16-9(10-5)12-17(13,14)8-6(2)11-15-7(8)3/h4H,1-3H3,(H,10,12)
InChIKeyMRXSACQUTGMFBB-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.86
Rot. Bonds3

About 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-sulfonamide (PubChem CID 35764641) has the molecular formula C9H11N3O3S2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-sulfonamide
PubChem CID35764641
Molecular FormulaC9H11N3O3S2
Molecular Weight273.34 g/mol
Exact Mass273.02
IUPAC Name3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-sulfonamide
SMILESCc1csc(NS(=O)(=O)c2c(C)noc2C)n1
InChIInChI=1S/C9H11N3O3S2/c1-5-4-16-9(10-5)12-17(13,14)8-6(2)11-15-7(8)3/h4H,1-3H3,(H,10,12)
InChIKeyMRXSACQUTGMFBB-UHFFFAOYSA-N
XLogP1.86
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-sulfonamide (CID 35764641) is 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-sulfonamide is Cc1csc(NS(=O)(=O)c2c(C)noc2C)n1.
What is the InChIKey of 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-sulfonamide?
The InChIKey is MRXSACQUTGMFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S2/c1-5-4-16-9(10-5)12-17(13,14)8-6(2)11-15-7(8)3/h4H,1-3H3,(H,10,12).
What are the key properties of 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-sulfonamide has a molecular weight of 273.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 35764641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).