imidazo[2,1-b][1,3]thiazole-6-carboxylic acid;imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone;1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7-[(3S)-pyrrolidin-3-yl]oxy-2,3-dihydropyrido[3,4-b][1,4]oxazine

C48H44F6N12O9S2 — CID 159468177

IUPACimidazo[2,1-b][1,3]thiazole-6-carboxylic acid;imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone;1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7-[(3S)-pyrrolidin-3-yl]oxy-2,3-dihydropyrido[3,4-b][1,4]oxazine
SMILESCOc1ncc(N2CCOc3cnc(O[C@H]4CCN(C(=O)c5cn6ccsc6n5)C4)cc32)cc1C(F)(F)F.COc1ncc(N2CCOc3cnc(O[C@H]4CCNC4)cc32)cc1C(F)(F)F.O=C(O)c1cn2ccsc2n1
InChIInChI=1S/C24H21F3N6O4S.C18H19F3N4O3.C6H4N2O2S/c1-35-21-16(24(25,26)27)8-14(10-29-21)33-4-6-36-19-11-28-20(9-18(19)33)37-15-2-3-31(12-15)22(34)17-13-32-5-7-38-23(32)30-17;1-26-17-13(18(19,20)21)6-11(8-24-17)25-4-5-27-15-10-23-16(7-14(15)25)28-12-2-3-22-9-12;9-5(10)4-3-8-1-2-11-6(8)7-4/h5,7-11,13,15H,2-4,6,12H2,1H3;6-8,10,12,22H,2-5,9H2,1H3;1-3H,(H,9,10)/t15-;12-;/m00./s1
InChIKeyLVLMDWDFIYNSSR-MNHBYHHDSA-N
MW1111.08 g/mol
LogP7.91
Rot. Bonds10

About imidazo[2,1-b][1,3]thiazole-6-carboxylic acid;imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone;1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7-[(3S)-pyrrolidin-3-yl]oxy-2,3-dihydropyrido[3,4-b][1,4]oxazine

imidazo[2,1-b][1,3]thiazole-6-carboxylic acid;imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone;1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7-[(3S)-pyrrolidin-3-yl]oxy-2,3-dihydropyrido[3,4-b][1,4]oxazine (PubChem CID 159468177) has the molecular formula C48H44F6N12O9S2 and a molecular weight of 1111.08 g/mol. Its IUPAC name is imidazo[2,1-b][1,3]thiazole-6-carboxylic acid;imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone;1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7-[(3S)-pyrrolidin-3-yl]oxy-2,3-dihydropyrido[3,4-b][1,4]oxazine.

Molecular Properties

Compound Nameimidazo[2,1-b][1,3]thiazole-6-carboxylic acid;imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone;1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7-[(3S)-pyrrolidin-3-yl]oxy-2,3-dihydropyrido[3,4-b][1,4]oxazine
PubChem CID159468177
Molecular FormulaC48H44F6N12O9S2
Molecular Weight1111.08 g/mol
Exact Mass1110.27
IUPAC Nameimidazo[2,1-b][1,3]thiazole-6-carboxylic acid;imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone;1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7-[(3S)-pyrrolidin-3-yl]oxy-2,3-dihydropyrido[3,4-b][1,4]oxazine
SMILESCOc1ncc(N2CCOc3cnc(O[C@H]4CCN(C(=O)c5cn6ccsc6n5)C4)cc32)cc1C(F)(F)F.COc1ncc(N2CCOc3cnc(O[C@H]4CCNC4)cc32)cc1C(F)(F)F.O=C(O)c1cn2ccsc2n1
InChIInChI=1S/C24H21F3N6O4S.C18H19F3N4O3.C6H4N2O2S/c1-35-21-16(24(25,26)27)8-14(10-29-21)33-4-6-36-19-11-28-20(9-18(19)33)37-15-2-3-31(12-15)22(34)17-13-32-5-7-38-23(32)30-17;1-26-17-13(18(19,20)21)6-11(8-24-17)25-4-5-27-15-10-23-16(7-14(15)25)28-12-2-3-22-9-12;9-5(10)4-3-8-1-2-11-6(8)7-4/h5,7-11,13,15H,2-4,6,12H2,1H3;6-8,10,12,22H,2-5,9H2,1H3;1-3H,(H,9,10)/t15-;12-;/m00./s1
InChIKeyLVLMDWDFIYNSSR-MNHBYHHDSA-N
XLogP7.91
TPSA217.66 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds10
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001111.08
LogP ≤ 57.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze imidazo[2,1-b][1,3]thiazole-6-carboxylic acid;imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone;1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7-[(3S)-pyrrolidin-3-yl]oxy-2,3-dihydropyrido[3,4-b][1,4]oxazine with MolForge

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Related Compounds

imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone
CID 86688486
Imidazo[2,1-b][1,3]thiazol-6-yl-[3-[[1-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone
CID 89646535
[(3S)-3-[[1-[5-(1,1-difluoroethyl)-6-methoxypyridin-3-yl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone
CID 145598901
2-[2-[2,7-Bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;2-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(5-pyrrol-1-ylpyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
CID 158161074
[(3S)-3-[[1-(6-methoxy-5-methyl-3-pyridinyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone;1-(6-methoxy-5-methyl-3-pyridinyl)-7-[(3S)-pyrrolidin-3-yl]oxy-2,3-dihydropyrido[3,4-b][1,4]oxazine;1-methylimidazole-4-carboxylic acid
CID 160379895
2-[2-[2,7-Bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;2-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(5-pyrrol-1-ylpyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-(5-imidazol-1-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(platinum(2+))
CID 161267845

Frequently Asked Questions

What is the IUPAC name of imidazo[2,1-b][1,3]thiazole-6-carboxylic acid;imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone;1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7-[(3S)-pyrrolidin-3-yl]oxy-2,3-dihydropyrido[3,4-b][1,4]oxazine?
The IUPAC name of imidazo[2,1-b][1,3]thiazole-6-carboxylic acid;imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone;1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7-[(3S)-pyrrolidin-3-yl]oxy-2,3-dihydropyrido[3,4-b][1,4]oxazine (CID 159468177) is imidazo[2,1-b][1,3]thiazole-6-carboxylic acid;imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone;1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7-[(3S)-pyrrolidin-3-yl]oxy-2,3-dihydropyrido[3,4-b][1,4]oxazine.
What is the SMILES notation for imidazo[2,1-b][1,3]thiazole-6-carboxylic acid;imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone;1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7-[(3S)-pyrrolidin-3-yl]oxy-2,3-dihydropyrido[3,4-b][1,4]oxazine?
The canonical SMILES for imidazo[2,1-b][1,3]thiazole-6-carboxylic acid;imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone;1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7-[(3S)-pyrrolidin-3-yl]oxy-2,3-dihydropyrido[3,4-b][1,4]oxazine is COc1ncc(N2CCOc3cnc(O[C@H]4CCN(C(=O)c5cn6ccsc6n5)C4)cc32)cc1C(F)(F)F.COc1ncc(N2CCOc3cnc(O[C@H]4CCNC4)cc32)cc1C(F)(F)F.O=C(O)c1cn2ccsc2n1.
What is the InChIKey of imidazo[2,1-b][1,3]thiazole-6-carboxylic acid;imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone;1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7-[(3S)-pyrrolidin-3-yl]oxy-2,3-dihydropyrido[3,4-b][1,4]oxazine?
The InChIKey is LVLMDWDFIYNSSR-MNHBYHHDSA-N. The full InChI is InChI=1S/C24H21F3N6O4S.C18H19F3N4O3.C6H4N2O2S/c1-35-21-16(24(25,26)27)8-14(10-29-21)33-4-6-36-19-11-28-20(9-18(19)33)37-15-2-3-31(12-15)22(34)17-13-32-5-7-38-23(32)30-17;1-26-17-13(18(19,20)21)6-11(8-24-17)25-4-5-27-15-10-23-16(7-14(15)25)28-12-2-3-22-9-12;9-5(10)4-3-8-1-2-11-6(8)7-4/h5,7-11,13,15H,2-4,6,12H2,1H3;6-8,10,12,22H,2-5,9H2,1H3;1-3H,(H,9,10)/t15-;12-;/m00./s1.
What are the key properties of imidazo[2,1-b][1,3]thiazole-6-carboxylic acid;imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone;1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7-[(3S)-pyrrolidin-3-yl]oxy-2,3-dihydropyrido[3,4-b][1,4]oxazine?
imidazo[2,1-b][1,3]thiazole-6-carboxylic acid;imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone;1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7-[(3S)-pyrrolidin-3-yl]oxy-2,3-dihydropyrido[3,4-b][1,4]oxazine has a molecular weight of 1111.08 g/mol, XLogP of 7.91, 10 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[2,1-b][1,3]thiazole-6-carboxylic acid;imidazo[2,1-b][1,3]thiazol-6-yl-[(3S)-3-[[1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]methanone;1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7-[(3S)-pyrrolidin-3-yl]oxy-2,3-dihydropyrido[3,4-b][1,4]oxazine is sourced from PubChem (CID 159468177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).