N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide

C14H15FN4O2S2 — CID 53163241

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1nn2c(CNS(=O)(=O)c3ccc(F)c(C)c3)c(C)nc2s1
InChIInChI=1S/C14H15FN4O2S2/c1-8-6-11(4-5-12(8)15)23(20,21)16-7-13-9(2)17-14-19(13)18-10(3)22-14/h4-6,16H,7H2,1-3H3
InChIKeyFCZWTNRRDMQHQT-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.33
Rot. Bonds4

About N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide

N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 53163241) has the molecular formula C14H15FN4O2S2 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
PubChem CID53163241
Molecular FormulaC14H15FN4O2S2
Molecular Weight354.43 g/mol
Exact Mass354.06
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1nn2c(CNS(=O)(=O)c3ccc(F)c(C)c3)c(C)nc2s1
InChIInChI=1S/C14H15FN4O2S2/c1-8-6-11(4-5-12(8)15)23(20,21)16-7-13-9(2)17-14-19(13)18-10(3)22-14/h4-6,16H,7H2,1-3H3
InChIKeyFCZWTNRRDMQHQT-UHFFFAOYSA-N
XLogP2.33
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-methoxybenzenesulfonamide
CID 53163237
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 53163147
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-propylbenzenesulfonamide
CID 53163253
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide
CID 53163283
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 53163272
4-fluoro-3-methyl-N-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]benzenesulfonamide
CID 110402014
4-methoxy-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide
CID 53163162
N-[(3,4-dimethylphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151867
4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-methylbenzenesulfonamide
CID 110872199
4-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-methylbenzenesulfonamide
CID 121123906
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110416259
4-fluoro-3-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide
CID 110869633

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide (CID 53163241) is N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide is Cc1nn2c(CNS(=O)(=O)c3ccc(F)c(C)c3)c(C)nc2s1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is FCZWTNRRDMQHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2S2/c1-8-6-11(4-5-12(8)15)23(20,21)16-7-13-9(2)17-14-19(13)18-10(3)22-14/h4-6,16H,7H2,1-3H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide?
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 354.43 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 53163241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).