1-acetyl-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

C24H23FN4O3S2 — CID 90547716

IUPAC1-acetyl-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)NCc3sc4nc(-c5ccc(F)cc5)cn4c3C)ccc21
InChIInChI=1S/C24H23FN4O3S2/c1-15-23(33-24-27-21(14-29(15)24)17-5-7-19(25)8-6-17)13-26-34(31,32)20-9-10-22-18(12-20)4-3-11-28(22)16(2)30/h5-10,12,14,26H,3-4,11,13H2,1-2H3
InChIKeyXMLMTAGMNJMXFU-UHFFFAOYSA-N
MW498.61 g/mol
LogP4.29
Rot. Bonds5

About 1-acetyl-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

1-acetyl-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 90547716) has the molecular formula C24H23FN4O3S2 and a molecular weight of 498.61 g/mol. Its IUPAC name is 1-acetyl-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID90547716
Molecular FormulaC24H23FN4O3S2
Molecular Weight498.61 g/mol
Exact Mass498.12
IUPAC Name1-acetyl-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)NCc3sc4nc(-c5ccc(F)cc5)cn4c3C)ccc21
InChIInChI=1S/C24H23FN4O3S2/c1-15-23(33-24-27-21(14-29(15)24)17-5-7-19(25)8-6-17)13-26-34(31,32)20-9-10-22-18(12-20)4-3-11-28(22)16(2)30/h5-10,12,14,26H,3-4,11,13H2,1-2H3
InChIKeyXMLMTAGMNJMXFU-UHFFFAOYSA-N
XLogP4.29
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-acetyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3236116
[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 121031494
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,4-dimethylbenzenesulfonamide
CID 90547654
2,3-dichloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]benzenesulfonamide
CID 90547700
1-acetyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 47957175
1-acetyl-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 16582038
1-acetyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17400424
5-chloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 90547695
1-acetyl-N-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 114616615
1-acetyl-N-[(2R)-2-hydroxypropyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39452518
1-acetyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60539648
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 1-acetyl-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 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) is 1-acetyl-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is CC(=O)N1CCCc2cc(S(=O)(=O)NCc3sc4nc(-c5ccc(F)cc5)cn4c3C)ccc21.
What is the InChIKey of 1-acetyl-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is XMLMTAGMNJMXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3S2/c1-15-23(33-24-27-21(14-29(15)24)17-5-7-19(25)8-6-17)13-26-34(31,32)20-9-10-22-18(12-20)4-3-11-28(22)16(2)30/h5-10,12,14,26H,3-4,11,13H2,1-2H3.
What are the key properties of 1-acetyl-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-acetyl-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 498.61 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 90547716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).