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

C8H8BrN3O3S2 — CID 60784976

IUPACN-(5-bromo-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ncc(Br)s1
InChIInChI=1S/C8H8BrN3O3S2/c1-4-7(5(2)15-11-4)17(13,14)12-8-10-3-6(9)16-8/h3H,1-2H3,(H,10,12)
InChIKeyZTLOBGAOVQYANB-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.31
Rot. Bonds3

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

N-(5-bromo-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 60784976) has the molecular formula C8H8BrN3O3S2 and a molecular weight of 338.21 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID60784976
Molecular FormulaC8H8BrN3O3S2
Molecular Weight338.21 g/mol
Exact Mass336.92
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ncc(Br)s1
InChIInChI=1S/C8H8BrN3O3S2/c1-4-7(5(2)15-11-4)17(13,14)12-8-10-3-6(9)16-8/h3H,1-2H3,(H,10,12)
InChIKeyZTLOBGAOVQYANB-UHFFFAOYSA-N
XLogP2.31
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 60784976) is N-(5-bromo-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is ZTLOBGAOVQYANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O3S2/c1-4-7(5(2)15-11-4)17(13,14)12-8-10-3-6(9)16-8/h3H,1-2H3,(H,10,12).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(5-bromo-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 338.21 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 60784976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).