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

C19H18N4O3S2 — CID 53163162

IUPAC4-methoxy-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2c(-c3ccccc3)nc3sc(C)nn23)cc1
InChIInChI=1S/C19H18N4O3S2/c1-13-22-23-17(18(21-19(23)27-13)14-6-4-3-5-7-14)12-20-28(24,25)16-10-8-15(26-2)9-11-16/h3-11,20H,12H2,1-2H3
InChIKeyDXTWFWLPYPFAKT-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.25
Rot. Bonds6

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

4-methoxy-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 53163162) has the molecular formula C19H18N4O3S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-methoxy-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide
PubChem CID53163162
Molecular FormulaC19H18N4O3S2
Molecular Weight414.51 g/mol
Exact Mass414.08
IUPAC Name4-methoxy-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2c(-c3ccccc3)nc3sc(C)nn23)cc1
InChIInChI=1S/C19H18N4O3S2/c1-13-22-23-17(18(21-19(23)27-13)14-6-4-3-5-7-14)12-20-28(24,25)16-10-8-15(26-2)9-11-16/h3-11,20H,12H2,1-2H3
InChIKeyDXTWFWLPYPFAKT-UHFFFAOYSA-N
XLogP3.25
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-methoxybenzenesulfonamide
CID 53163237
2,4-dimethyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide
CID 53163185
3-chloro-2-methyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide
CID 53163190
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-benzyl-4-methoxybenzenesulfonamide
CID 741351
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]-4-fluoro-3-methylbenzenesulfonamide
CID 53163241
4-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide
CID 23603678
4-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 54774003
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]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 53163147

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide (CID 53163162) is 4-methoxy-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2c(-c3ccccc3)nc3sc(C)nn23)cc1.
What is the InChIKey of 4-methoxy-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is DXTWFWLPYPFAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S2/c1-13-22-23-17(18(21-19(23)27-13)14-6-4-3-5-7-14)12-20-28(24,25)16-10-8-15(26-2)9-11-16/h3-11,20H,12H2,1-2H3.
What are the key properties of 4-methoxy-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide?
4-methoxy-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 414.51 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 53163162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).