[4-[1-(1,3-thiazole-4-carbonyl)azetidin-3-yl]piperidin-1-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]methanone

C27H26F3N3O2S — CID 56962752

IUPAC[4-[1-(1,3-thiazole-4-carbonyl)azetidin-3-yl]piperidin-1-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]methanone
SMILESO=C(c1ccc(Cc2cccc(C(F)(F)F)c2)cc1)N1CCC(C2CN(C(=O)c3cscn3)C2)CC1
InChIInChI=1S/C27H26F3N3O2S/c28-27(29,30)23-3-1-2-19(13-23)12-18-4-6-21(7-5-18)25(34)32-10-8-20(9-11-32)22-14-33(15-22)26(35)24-16-36-17-31-24/h1-7,13,16-17,20,22H,8-12,14-15H2
InChIKeySLOANOROPVNGDE-UHFFFAOYSA-N
MW513.59 g/mol
LogP5.38
Rot. Bonds5

About [4-[1-(1,3-thiazole-4-carbonyl)azetidin-3-yl]piperidin-1-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]methanone

[4-[1-(1,3-thiazole-4-carbonyl)azetidin-3-yl]piperidin-1-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]methanone (PubChem CID 56962752) has the molecular formula C27H26F3N3O2S and a molecular weight of 513.59 g/mol. Its IUPAC name is [4-[1-(1,3-thiazole-4-carbonyl)azetidin-3-yl]piperidin-1-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]methanone.

Molecular Properties

Compound Name[4-[1-(1,3-thiazole-4-carbonyl)azetidin-3-yl]piperidin-1-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]methanone
PubChem CID56962752
Molecular FormulaC27H26F3N3O2S
Molecular Weight513.59 g/mol
Exact Mass513.17
IUPAC Name[4-[1-(1,3-thiazole-4-carbonyl)azetidin-3-yl]piperidin-1-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]methanone
SMILESO=C(c1ccc(Cc2cccc(C(F)(F)F)c2)cc1)N1CCC(C2CN(C(=O)c3cscn3)C2)CC1
InChIInChI=1S/C27H26F3N3O2S/c28-27(29,30)23-3-1-2-19(13-23)12-18-4-6-21(7-5-18)25(34)32-10-8-20(9-11-32)22-14-33(15-22)26(35)24-16-36-17-31-24/h1-7,13,16-17,20,22H,8-12,14-15H2
InChIKeySLOANOROPVNGDE-UHFFFAOYSA-N
XLogP5.38
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.59
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[1-(1,3-thiazole-4-carbonyl)azetidin-3-yl]piperidin-1-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]phenyl]methanone
CID 67288177
1,3-thiazol-4-yl-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 134077489
[3-[[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 67288781
[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 56898774
(4-phenylmethoxypiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 70762006
1,3-thiazol-4-yl-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone
CID 45249267
[3-phenyl-5-(trifluoromethyl)phenyl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840649
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 166613031
3-phenyl-1-[5-(1,3-thiazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-one
CID 131646389
(3-aminopiperidin-1-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]methanone
CID 138050782
(4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone
CID 93223653
(4-benzylsulfonylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 121022772

Frequently Asked Questions

What is the IUPAC name of [4-[1-(1,3-thiazole-4-carbonyl)azetidin-3-yl]piperidin-1-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]methanone?
The IUPAC name of [4-[1-(1,3-thiazole-4-carbonyl)azetidin-3-yl]piperidin-1-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]methanone (CID 56962752) is [4-[1-(1,3-thiazole-4-carbonyl)azetidin-3-yl]piperidin-1-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]methanone.
What is the SMILES notation for [4-[1-(1,3-thiazole-4-carbonyl)azetidin-3-yl]piperidin-1-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]methanone?
The canonical SMILES for [4-[1-(1,3-thiazole-4-carbonyl)azetidin-3-yl]piperidin-1-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]methanone is O=C(c1ccc(Cc2cccc(C(F)(F)F)c2)cc1)N1CCC(C2CN(C(=O)c3cscn3)C2)CC1.
What is the InChIKey of [4-[1-(1,3-thiazole-4-carbonyl)azetidin-3-yl]piperidin-1-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]methanone?
The InChIKey is SLOANOROPVNGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N3O2S/c28-27(29,30)23-3-1-2-19(13-23)12-18-4-6-21(7-5-18)25(34)32-10-8-20(9-11-32)22-14-33(15-22)26(35)24-16-36-17-31-24/h1-7,13,16-17,20,22H,8-12,14-15H2.
What are the key properties of [4-[1-(1,3-thiazole-4-carbonyl)azetidin-3-yl]piperidin-1-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]methanone?
[4-[1-(1,3-thiazole-4-carbonyl)azetidin-3-yl]piperidin-1-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]methanone has a molecular weight of 513.59 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(1,3-thiazole-4-carbonyl)azetidin-3-yl]piperidin-1-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]methanone is sourced from PubChem (CID 56962752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).