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

C30H27F3N4O2S — CID 157223535

IUPAC1-(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
SMILESCc1nc2sccn2c1C(=O)CCc1ccc2nc(N3CCC(c4ccc(OC(F)(F)F)cc4)CC3)ccc2c1
InChIInChI=1S/C30H27F3N4O2S/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/h2,4-9,11,16-18,22H,3,10,12-15H2,1H3
InChIKeyZSEIDUIWPJWWTF-UHFFFAOYSA-N
MW564.63 g/mol
LogP7.35
Rot. Bonds7

About 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

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 (PubChem CID 157223535) has the molecular formula C30H27F3N4O2S and a molecular weight of 564.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID157223535
Molecular FormulaC30H27F3N4O2S
Molecular Weight564.63 g/mol
Exact Mass564.18
IUPAC Name1-(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
SMILESCc1nc2sccn2c1C(=O)CCc1ccc2nc(N3CCC(c4ccc(OC(F)(F)F)cc4)CC3)ccc2c1
InChIInChI=1S/C30H27F3N4O2S/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/h2,4-9,11,16-18,22H,3,10,12-15H2,1H3
InChIKeyZSEIDUIWPJWWTF-UHFFFAOYSA-N
XLogP7.35
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.63
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[6-(4-Fluorophenyl)-2,3-bis(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-pyridin-3-ylmethanone
CID 145982266
2,6-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[2,1-b]thiazole-5-carboxamide
CID 129907091
6-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[2,1-b]thiazole-5-carboxamide
CID 134151016
N-[2-(4-methoxyphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797016
[6-(4-Methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone
CID 155561360
6-methyl-N-[[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-6-quinolyl]methyl]imidazo[2,1-b]thiazole-5-carboxamide
CID 124178290
6-methyl-N-[[2-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]-6-quinolyl]methyl]imidazo[2,1-b]thiazole-5-carboxamide
CID 124180053
6-methyl-N-[[2-[methyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]-6-quinolyl]methyl]imidazo[2,1-b]thiazole-5-carboxamide
CID 124180087
6-methyl-N-[[2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-6-quinolyl]methyl]imidazo[2,1-b]thiazole-5-carboxamide
CID 129908642
6-ethyl-2-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[2,1-b]thiazole-5-carboxamide
CID 129909145
N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]-2,6-dimethyl-imidazo[2,1-b]thiazole-5-carboxamide;hydrochloride
CID 163202163
N-[[3,5-difluoro-4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]-2,6-dimethyl-imidazo[2,1-b]thiazole-5-carboxamide;hydrochloride
CID 163202256

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2sccn2c1C(=O)CCc1ccc2nc(N3CCC(c4ccc(OC(F)(F)F)cc4)CC3)ccc2c1.
What is the InChIKey of 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?
The InChIKey is ZSEIDUIWPJWWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F3N4O2S/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/h2,4-9,11,16-18,22H,3,10,12-15H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 564.63 g/mol, XLogP of 7.35, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157223535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).