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

C11H18N4O2S2 — CID 53163274

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1c(C)nc2sc(C)nn12
InChIInChI=1S/C11H18N4O2S2/c1-4-5-6-19(16,17)12-7-10-8(2)13-11-15(10)14-9(3)18-11/h12H,4-7H2,1-3H3
InChIKeyIFZZOOQJBWZIPZ-UHFFFAOYSA-N
MW302.43 g/mol
LogP1.63
Rot. Bonds6

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

N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]butane-1-sulfonamide (PubChem CID 53163274) has the molecular formula C11H18N4O2S2 and a molecular weight of 302.43 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]butane-1-sulfonamide
PubChem CID53163274
Molecular FormulaC11H18N4O2S2
Molecular Weight302.43 g/mol
Exact Mass302.09
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1c(C)nc2sc(C)nn12
InChIInChI=1S/C11H18N4O2S2/c1-4-5-6-19(16,17)12-7-10-8(2)13-11-15(10)14-9(3)18-11/h12H,4-7H2,1-3H3
InChIKeyIFZZOOQJBWZIPZ-UHFFFAOYSA-N
XLogP1.63
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 51.63
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]-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
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]-4-fluoro-3-methylbenzenesulfonamide
CID 53163241
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]cyclobutanecarboxamide
CID 53163009
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 53163147
2-[(butylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 55249373
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]butane-1-sulfonamide
CID 110395145
2-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide
CID 53163060
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-1-(5-methyl-1,3-oxazol-4-yl)methanamine
CID 146145149
1-(2-fluorophenyl)-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]methanesulfonamide
CID 53163198
N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide
CID 110421328

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]butane-1-sulfonamide?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]butane-1-sulfonamide (CID 53163274) is N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCc1c(C)nc2sc(C)nn12.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]butane-1-sulfonamide?
The InChIKey is IFZZOOQJBWZIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S2/c1-4-5-6-19(16,17)12-7-10-8(2)13-11-15(10)14-9(3)18-11/h12H,4-7H2,1-3H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]butane-1-sulfonamide?
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]butane-1-sulfonamide has a molecular weight of 302.43 g/mol, XLogP of 1.63, 6 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]butane-1-sulfonamide is sourced from PubChem (CID 53163274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).