6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine

C59H55F6N9O5S2 — CID 157223534

IUPAC6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine
SMILESCc1nc2sccn2c1C(=O)CCc1ccc2nc(N3CCC(c4ccc(OC(F)(F)F)cc4)CC3)ccc2c1.Cc1nc2sccn2c1C(=O)O.NCc1ccc2nc(N3CCC(c4ccc(OC(F)(F)F)cc4)CC3)ccc2c1
InChIInChI=1S/C30H27F3N4O2S.C22H22F3N3O.C7H6N2O2S/c1-19-28(37-16-17-40-29(37)34-19)26(38)10-3-20-2-9-25-23(18-20)6-11-27(35-25)36-14-12-22(13-15-36)21-4-7-24(8-5-21)39-30(31,32)33;23-22(24,25)29-19-5-2-16(3-6-19)17-9-11-28(12-10-17)21-8-4-18-13-15(14-26)1-7-20(18)27-21;1-4-5(6(10)11)9-2-3-12-7(9)8-4/h2,4-9,11,16-18,22H,3,10,12-15H2,1H3;1-8,13,17H,9-12,14,26H2;2-3H,1H3,(H,10,11)
InChIKeyATGSFWSAGHRKPU-UHFFFAOYSA-N
MW1148.27 g/mol
LogP13.73
Rot. Bonds12

About 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine

6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine (PubChem CID 157223534) has the molecular formula C59H55F6N9O5S2 and a molecular weight of 1148.27 g/mol. Its IUPAC name is 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine.

Molecular Properties

Compound Name6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine
PubChem CID157223534
Molecular FormulaC59H55F6N9O5S2
Molecular Weight1148.27 g/mol
Exact Mass1147.37
IUPAC Name6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine
SMILESCc1nc2sccn2c1C(=O)CCc1ccc2nc(N3CCC(c4ccc(OC(F)(F)F)cc4)CC3)ccc2c1.Cc1nc2sccn2c1C(=O)O.NCc1ccc2nc(N3CCC(c4ccc(OC(F)(F)F)cc4)CC3)ccc2c1
InChIInChI=1S/C30H27F3N4O2S.C22H22F3N3O.C7H6N2O2S/c1-19-28(37-16-17-40-29(37)34-19)26(38)10-3-20-2-9-25-23(18-20)6-11-27(35-25)36-14-12-22(13-15-36)21-4-7-24(8-5-21)39-30(31,32)33;23-22(24,25)29-19-5-2-16(3-6-19)17-9-11-28(12-10-17)21-8-4-18-13-15(14-26)1-7-20(18)27-21;1-4-5(6(10)11)9-2-3-12-7(9)8-4/h2,4-9,11,16-18,22H,3,10,12-15H2,1H3;1-8,13,17H,9-12,14,26H2;2-3H,1H3,(H,10,11)
InChIKeyATGSFWSAGHRKPU-UHFFFAOYSA-N
XLogP13.73
TPSA165.71 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001148.27
LogP ≤ 513.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine with MolForge

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Related Compounds

6-methyl-N-[[2-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]-6-quinolyl]methyl]imidazo[2,1-b]thiazole-5-carboxamide
CID 124180053
6-(aminomethyl)-N-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinolin-2-amine;2-chloro-6-isocyanoquinoline;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-methyl-N-[[2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinolin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]quinoline-6-carbonitrile;2-[4-(trifluoromethoxy)phenyl]ethanamine;2-[2-[4-(trifluoromethoxy)phenyl]ethylamino]quinoline-6-carbonitrile
CID 157097724
1-(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-lambda6-sulfanyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-lambda6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one
CID 159547204
Chloromethane;2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methanamine
CID 159789186
2-Chloro-6-isocyanoquinoline;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]propan-1-one;1-[4-(trifluoromethoxy)phenyl]piperazine;2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinoline-6-carbonitrile;[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]methanamine
CID 160471840
1-(6-Methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one
CID 157223535

Frequently Asked Questions

What is the IUPAC name of 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine?
The IUPAC name of 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine (CID 157223534) is 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine.
What is the SMILES notation for 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine?
The canonical SMILES for 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine is Cc1nc2sccn2c1C(=O)CCc1ccc2nc(N3CCC(c4ccc(OC(F)(F)F)cc4)CC3)ccc2c1.Cc1nc2sccn2c1C(=O)O.NCc1ccc2nc(N3CCC(c4ccc(OC(F)(F)F)cc4)CC3)ccc2c1.
What is the InChIKey of 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine?
The InChIKey is ATGSFWSAGHRKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F3N4O2S.C22H22F3N3O.C7H6N2O2S/c1-19-28(37-16-17-40-29(37)34-19)26(38)10-3-20-2-9-25-23(18-20)6-11-27(35-25)36-14-12-22(13-15-36)21-4-7-24(8-5-21)39-30(31,32)33;23-22(24,25)29-19-5-2-16(3-6-19)17-9-11-28(12-10-17)21-8-4-18-13-15(14-26)1-7-20(18)27-21;1-4-5(6(10)11)9-2-3-12-7(9)8-4/h2,4-9,11,16-18,22H,3,10,12-15H2,1H3;1-8,13,17H,9-12,14,26H2;2-3H,1H3,(H,10,11).
What are the key properties of 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine?
6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine has a molecular weight of 1148.27 g/mol, XLogP of 13.73, 12 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methanamine is sourced from PubChem (CID 157223534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).