2-(2-fluorophenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

C20H21FN4OS — CID 97272135

IUPAC2-(2-fluorophenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CCC[C@@H](c2nccn2Cc2cscn2)C1
InChIInChI=1S/C20H21FN4OS/c21-18-6-2-1-4-15(18)10-19(26)24-8-3-5-16(11-24)20-22-7-9-25(20)12-17-13-27-14-23-17/h1-2,4,6-7,9,13-14,16H,3,5,8,10-12H2/t16-/m1/s1
InChIKeyQLYAJQBERVQYGL-MRXNPFEDSA-N
MW384.48 g/mol
LogP3.48
Rot. Bonds5

About 2-(2-fluorophenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

2-(2-fluorophenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 97272135) has the molecular formula C20H21FN4OS and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
PubChem CID97272135
Molecular FormulaC20H21FN4OS
Molecular Weight384.48 g/mol
Exact Mass384.14
IUPAC Name2-(2-fluorophenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CCC[C@@H](c2nccn2Cc2cscn2)C1
InChIInChI=1S/C20H21FN4OS/c21-18-6-2-1-4-15(18)10-19(26)24-8-3-5-16(11-24)20-22-7-9-25(20)12-17-13-27-14-23-17/h1-2,4,6-7,9,13-14,16H,3,5,8,10-12H2/t16-/m1/s1
InChIKeyQLYAJQBERVQYGL-MRXNPFEDSA-N
XLogP3.48
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-fluorophenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]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-(2-methylphenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97278410
2-(3-hydroxyphenyl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 72897063
3-pyrazol-1-yl-1-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97209859
3-[2-oxo-2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 72842570
(3R)-N-cyclohexyl-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 97187985
(3-hydroxy-2-pyridinyl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97205216
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97275438
2-methyl-2-pyrrolidin-1-yl-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97269710
(4-fluoro-2-methylphenyl)-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97281812
pyrazin-2-yl-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97274348
propan-2-yl (3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxylate
CID 97210106
2-[2-methoxyethyl(methyl)amino]-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 72902331

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (CID 97272135) is 2-(2-fluorophenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is O=C(Cc1ccccc1F)N1CCC[C@@H](c2nccn2Cc2cscn2)C1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is QLYAJQBERVQYGL-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21FN4OS/c21-18-6-2-1-4-15(18)10-19(26)24-8-3-5-16(11-24)20-22-7-9-25(20)12-17-13-27-14-23-17/h1-2,4,6-7,9,13-14,16H,3,5,8,10-12H2/t16-/m1/s1.
What are the key properties of 2-(2-fluorophenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 384.48 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 97272135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).