thiomorpholin-4-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone

C17H14F3N3OS2 — CID 42197452

IUPACthiomorpholin-4-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone
SMILESO=C(c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12)N1CCSCC1
InChIInChI=1S/C17H14F3N3OS2/c18-17(19,20)12-3-1-2-11(8-12)13-9-23-14(10-26-16(23)21-13)15(24)22-4-6-25-7-5-22/h1-3,8-10H,4-7H2
InChIKeyBXCRQKGRIUFFSA-UHFFFAOYSA-N
MW397.45 g/mol
LogP4.27
Rot. Bonds2

About thiomorpholin-4-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone

thiomorpholin-4-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone (PubChem CID 42197452) has the molecular formula C17H14F3N3OS2 and a molecular weight of 397.45 g/mol. Its IUPAC name is thiomorpholin-4-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone.

Molecular Properties

Compound Namethiomorpholin-4-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone
PubChem CID42197452
Molecular FormulaC17H14F3N3OS2
Molecular Weight397.45 g/mol
Exact Mass397.05
IUPAC Namethiomorpholin-4-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone
SMILESO=C(c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12)N1CCSCC1
InChIInChI=1S/C17H14F3N3OS2/c18-17(19,20)12-3-1-2-11(8-12)13-9-23-14(10-26-16(23)21-13)15(24)22-4-6-25-7-5-22/h1-3,8-10H,4-7H2
InChIKeyBXCRQKGRIUFFSA-UHFFFAOYSA-N
XLogP4.27
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 45183616
N-[[1-(methoxymethyl)cyclopropyl]methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56751137
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 42270073
[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-pyrrolidin-1-ylmethanone
CID 42271654
1-(6-phenylimidazo[2,1-b][1,3]thiazole-3-carbonyl)piperidine-4-carboxamide
CID 42270233
(3-hydroxy-3-methylazetidin-1-yl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanone
CID 136571166
[(4R)-4-phenylazepan-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone
CID 42290467
(6-methyl-1,4-thiazepan-4-yl)-[3-methyl-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 146090684
ethyl 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]piperazine-1-carboxylate
CID 42271685
N-[4-[3-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]acetamide
CID 50839374
(4-benzylpiperidin-1-yl)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 42270347
[3,5-bis(trifluoromethyl)phenyl]-[4-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]piperazin-1-yl]methanone
CID 46081996

Frequently Asked Questions

What is the IUPAC name of thiomorpholin-4-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone?
The IUPAC name of thiomorpholin-4-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone (CID 42197452) is thiomorpholin-4-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone.
What is the SMILES notation for thiomorpholin-4-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone?
The canonical SMILES for thiomorpholin-4-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone is O=C(c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12)N1CCSCC1.
What is the InChIKey of thiomorpholin-4-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone?
The InChIKey is BXCRQKGRIUFFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3OS2/c18-17(19,20)12-3-1-2-11(8-12)13-9-23-14(10-26-16(23)21-13)15(24)22-4-6-25-7-5-22/h1-3,8-10H,4-7H2.
What are the key properties of thiomorpholin-4-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone?
thiomorpholin-4-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone has a molecular weight of 397.45 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholin-4-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone is sourced from PubChem (CID 42197452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).