N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C12H10FN3O3S2 — CID 25048261

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C12H10FN3O3S2/c1-6-11(7(2)19-15-6)21(17,18)16-12-14-9-4-3-8(13)5-10(9)20-12/h3-5H,1-2H3,(H,14,16)
InChIKeyYCNQVINCDWHZPQ-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.84
Rot. Bonds3

About N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 25048261) has the molecular formula C12H10FN3O3S2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID25048261
Molecular FormulaC12H10FN3O3S2
Molecular Weight327.36 g/mol
Exact Mass327.01
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C12H10FN3O3S2/c1-6-11(7(2)19-15-6)21(17,18)16-12-14-9-4-3-8(13)5-10(9)20-12/h3-5H,1-2H3,(H,14,16)
InChIKeyYCNQVINCDWHZPQ-UHFFFAOYSA-N
XLogP2.84
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 3847622
4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 3745144
4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 16934058
N-(2-bromo-5-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 103752882
N-(2-chloro-4-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 8002095
3,5-dimethyl-N-[2-(2-methylpropylsulfanyl)-1,3-benzothiazol-6-yl]-1,2-oxazole-4-sulfonamide
CID 50839756
3,5-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-sulfonamide
CID 9116131
N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzenesulfonamide
CID 3764092
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 8603622
3,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)-1,2-oxazole-4-sulfonamide
CID 110776931
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 18164546
N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 46379237

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 25048261) is N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1nc2ccc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is YCNQVINCDWHZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O3S2/c1-6-11(7(2)19-15-6)21(17,18)16-12-14-9-4-3-8(13)5-10(9)20-12/h3-5H,1-2H3,(H,14,16).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 327.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 25048261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).