5-chloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-methoxybenzenesulfonamide

C20H17ClFN3O3S2 — CID 90547695

IUPAC5-chloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1sc2nc(-c3ccc(F)cc3)cn2c1C
InChIInChI=1S/C20H17ClFN3O3S2/c1-12-18(10-23-30(26,27)19-9-14(21)5-8-17(19)28-2)29-20-24-16(11-25(12)20)13-3-6-15(22)7-4-13/h3-9,11,23H,10H2,1-2H3
InChIKeyCJUPZMBPVFCWOU-UHFFFAOYSA-N
MW465.96 g/mol
LogP4.65
Rot. Bonds6

About 5-chloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-methoxybenzenesulfonamide

5-chloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-methoxybenzenesulfonamide (PubChem CID 90547695) has the molecular formula C20H17ClFN3O3S2 and a molecular weight of 465.96 g/mol. Its IUPAC name is 5-chloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-methoxybenzenesulfonamide
PubChem CID90547695
Molecular FormulaC20H17ClFN3O3S2
Molecular Weight465.96 g/mol
Exact Mass465.04
IUPAC Name5-chloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1sc2nc(-c3ccc(F)cc3)cn2c1C
InChIInChI=1S/C20H17ClFN3O3S2/c1-12-18(10-23-30(26,27)19-9-14(21)5-8-17(19)28-2)29-20-24-16(11-25(12)20)13-3-6-15(22)7-4-13/h3-9,11,23H,10H2,1-2H3
InChIKeyCJUPZMBPVFCWOU-UHFFFAOYSA-N
XLogP4.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.96
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dichloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]benzenesulfonamide
CID 90547700
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,4-dimethylbenzenesulfonamide
CID 90547654
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 90547375
3,4-difluoro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]benzamide
CID 90547443
1-acetyl-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 90547716
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(4-methylphenyl)acetamide
CID 90547458
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90547482
5-chloro-2-methoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzenesulfonamide
CID 110401829
5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide
CID 110672576
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 90547451
5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 3716409
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 90547452

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-methoxybenzenesulfonamide (CID 90547695) is 5-chloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCc1sc2nc(-c3ccc(F)cc3)cn2c1C.
What is the InChIKey of 5-chloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-methoxybenzenesulfonamide?
The InChIKey is CJUPZMBPVFCWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O3S2/c1-12-18(10-23-30(26,27)19-9-14(21)5-8-17(19)28-2)29-20-24-16(11-25(12)20)13-3-6-15(22)7-4-13/h3-9,11,23H,10H2,1-2H3.
What are the key properties of 5-chloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-methoxybenzenesulfonamide has a molecular weight of 465.96 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 90547695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).