2,4-dimethyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide

C20H20N4O2S2 — CID 53163185

IUPAC2,4-dimethyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2c(-c3ccccc3)nc3sc(C)nn23)c(C)c1
InChIInChI=1S/C20H20N4O2S2/c1-13-9-10-18(14(2)11-13)28(25,26)21-12-17-19(16-7-5-4-6-8-16)22-20-24(17)23-15(3)27-20/h4-11,21H,12H2,1-3H3
InChIKeyIGXZTSKDSODNRK-UHFFFAOYSA-N
MW412.54 g/mol
LogP3.86
Rot. Bonds5

About 2,4-dimethyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide

2,4-dimethyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 53163185) has the molecular formula C20H20N4O2S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide
PubChem CID53163185
Molecular FormulaC20H20N4O2S2
Molecular Weight412.54 g/mol
Exact Mass412.10
IUPAC Name2,4-dimethyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2c(-c3ccccc3)nc3sc(C)nn23)c(C)c1
InChIInChI=1S/C20H20N4O2S2/c1-13-9-10-18(14(2)11-13)28(25,26)21-12-17-19(16-7-5-4-6-8-16)22-20-24(17)23-15(3)27-20/h4-11,21H,12H2,1-3H3
InChIKeyIGXZTSKDSODNRK-UHFFFAOYSA-N
XLogP3.86
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-2-methyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide
CID 53163190
4-methoxy-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide
CID 53163162
1-(2-fluorophenyl)-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]methanesulfonamide
CID 53163198
5-ethyl-2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646481
N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]pyridine-3-carboxamide
CID 53163111
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 53163241
2,4-dimethyl-N-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]benzenesulfonamide
CID 110402011
4-fluoro-2-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide
CID 110873477
2,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207740
2,4-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 110322827
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-propylbenzenesulfonamide
CID 53163253

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide (CID 53163185) is 2,4-dimethyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2c(-c3ccccc3)nc3sc(C)nn23)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is IGXZTSKDSODNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S2/c1-13-9-10-18(14(2)11-13)28(25,26)21-12-17-19(16-7-5-4-6-8-16)22-20-24(17)23-15(3)27-20/h4-11,21H,12H2,1-3H3.
What are the key properties of 2,4-dimethyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide?
2,4-dimethyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 412.54 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 53163185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).