2-(5-chloro-1,3-thiazol-2-yl)-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]ethanone

C21H23ClF3N3OS — CID 58305520

IUPAC2-(5-chloro-1,3-thiazol-2-yl)-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ncc(Cl)s1)c1cc(N2CCC(N3CCCC3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C21H23ClF3N3OS/c22-19-13-26-20(30-19)12-18(29)14-9-15(21(23,24)25)11-17(10-14)28-7-3-16(4-8-28)27-5-1-2-6-27/h9-11,13,16H,1-8,12H2
InChIKeyMSYYQVVRZPEWQI-UHFFFAOYSA-N
MW457.95 g/mol
LogP5.31
Rot. Bonds5

About 2-(5-chloro-1,3-thiazol-2-yl)-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]ethanone

2-(5-chloro-1,3-thiazol-2-yl)-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]ethanone (PubChem CID 58305520) has the molecular formula C21H23ClF3N3OS and a molecular weight of 457.95 g/mol. Its IUPAC name is 2-(5-chloro-1,3-thiazol-2-yl)-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(5-chloro-1,3-thiazol-2-yl)-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]ethanone
PubChem CID58305520
Molecular FormulaC21H23ClF3N3OS
Molecular Weight457.95 g/mol
Exact Mass457.12
IUPAC Name2-(5-chloro-1,3-thiazol-2-yl)-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ncc(Cl)s1)c1cc(N2CCC(N3CCCC3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C21H23ClF3N3OS/c22-19-13-26-20(30-19)12-18(29)14-9-15(21(23,24)25)11-17(10-14)28-7-3-16(4-8-28)27-5-1-2-6-27/h9-11,13,16H,1-8,12H2
InChIKeyMSYYQVVRZPEWQI-UHFFFAOYSA-N
XLogP5.31
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.95
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(5-chloro-1,3-thiazol-2-yl)-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]ethanone 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

2-(3,4-dichlorophenyl)-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]ethanone
CID 58305426
3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzoic acid
CID 58305493
N-(3,4-dichlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
CID 44548539
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
CID 44548186
3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 44547429
3-fluoro-5-(4-pyrrolidin-1-ylpiperidin-1-yl)benzoic acid
CID 58305424
2,4-dichloro-N-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 44548692
3-fluoro-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 44547575
3-thiomorpholin-4-yl-5-(trifluoromethyl)benzoic acid
CID 137353606
2-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-1,3-benzothiazole
CID 133318192
4-methoxy-N-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 44548694
(5Z)-5-[[3-chloro-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 44610259

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]ethanone (CID 58305520) is 2-(5-chloro-1,3-thiazol-2-yl)-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(5-chloro-1,3-thiazol-2-yl)-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(5-chloro-1,3-thiazol-2-yl)-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]ethanone is O=C(Cc1ncc(Cl)s1)c1cc(N2CCC(N3CCCC3)CC2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-(5-chloro-1,3-thiazol-2-yl)-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]ethanone?
The InChIKey is MSYYQVVRZPEWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClF3N3OS/c22-19-13-26-20(30-19)12-18(29)14-9-15(21(23,24)25)11-17(10-14)28-7-3-16(4-8-28)27-5-1-2-6-27/h9-11,13,16H,1-8,12H2.
What are the key properties of 2-(5-chloro-1,3-thiazol-2-yl)-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]ethanone?
2-(5-chloro-1,3-thiazol-2-yl)-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]ethanone has a molecular weight of 457.95 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-thiazol-2-yl)-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 58305520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).