N-(5-bromo-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

C8H8BrN3O3S2 — CID 60785293

IUPACN-(5-bromo-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)Nc2ncc(Br)s2)no1
InChIInChI=1S/C8H8BrN3O3S2/c1-5-2-6(11-15-5)4-17(13,14)12-8-10-3-7(9)16-8/h2-3H,4H2,1H3,(H,10,12)
InChIKeyINLBOUWLCPCUBQ-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.14
Rot. Bonds4

About N-(5-bromo-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

N-(5-bromo-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 60785293) 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)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
PubChem CID60785293
Molecular FormulaC8H8BrN3O3S2
Molecular Weight338.21 g/mol
Exact Mass336.92
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)Nc2ncc(Br)s2)no1
InChIInChI=1S/C8H8BrN3O3S2/c1-5-2-6(11-15-5)4-17(13,14)12-8-10-3-7(9)16-8/h2-3H,4H2,1H3,(H,10,12)
InChIKeyINLBOUWLCPCUBQ-UHFFFAOYSA-N
XLogP2.14
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 61610151
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 25611422
5-[(3,5-Dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 28782672
5-[(5-Methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 28782673
5-[(3-Methyl-1,2-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 28782688
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-sulfonamide
CID 35764641
3,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-sulfonamide
CID 35764660
N-(5-bromo-1,3-thiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 60784976
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 60812776
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 60813417
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 60814951
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 60815083

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (CID 60785293) is N-(5-bromo-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is Cc1cc(CS(=O)(=O)Nc2ncc(Br)s2)no1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is INLBOUWLCPCUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O3S2/c1-5-2-6(11-15-5)4-17(13,14)12-8-10-3-7(9)16-8/h2-3H,4H2,1H3,(H,10,12).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
N-(5-bromo-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 338.21 g/mol, XLogP of 2.14, 4 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)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 60785293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).