(4-fluoro-2-methylphenyl)-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C20H21FN4OS — CID 97281812

IUPAC(4-fluoro-2-methylphenyl)-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1cc(F)ccc1C(=O)N1CCC[C@H](c2nccn2Cc2cscn2)C1
InChIInChI=1S/C20H21FN4OS/c1-14-9-16(21)4-5-18(14)20(26)25-7-2-3-15(10-25)19-22-6-8-24(19)11-17-12-27-13-23-17/h4-6,8-9,12-13,15H,2-3,7,10-11H2,1H3/t15-/m0/s1
InChIKeyQTEJFJFZJQQLRC-HNNXBMFYSA-N
MW384.48 g/mol
LogP3.86
Rot. Bonds4

About (4-fluoro-2-methylphenyl)-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

(4-fluoro-2-methylphenyl)-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 97281812) has the molecular formula C20H21FN4OS and a molecular weight of 384.48 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID97281812
Molecular FormulaC20H21FN4OS
Molecular Weight384.48 g/mol
Exact Mass384.14
IUPAC Name(4-fluoro-2-methylphenyl)-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1cc(F)ccc1C(=O)N1CCC[C@H](c2nccn2Cc2cscn2)C1
InChIInChI=1S/C20H21FN4OS/c1-14-9-16(21)4-5-18(14)20(26)25-7-2-3-15(10-25)19-22-6-8-24(19)11-17-12-27-13-23-17/h4-6,8-9,12-13,15H,2-3,7,10-11H2,1H3/t15-/m0/s1
InChIKeyQTEJFJFZJQQLRC-HNNXBMFYSA-N
XLogP3.86
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dimethylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72863675
(4-methylpyrimidin-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97282641
(2-methoxy-6-methylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72918394
1-methyl-5-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one
CID 97278566
(4-methylthiadiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72877462
2-(2-methylphenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97278410
(3-hydroxy-2-pyridinyl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97205216
pyrazin-2-yl-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97274348
(2-ethylpyrazol-3-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97283841
(2-ethylpyrazol-3-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72924941
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
2-(2-fluorophenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97272135

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-fluoro-2-methylphenyl)-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 97281812) is (4-fluoro-2-methylphenyl)-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluoro-2-methylphenyl)-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cc1cc(F)ccc1C(=O)N1CCC[C@H](c2nccn2Cc2cscn2)C1.
What is the InChIKey of (4-fluoro-2-methylphenyl)-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is QTEJFJFZJQQLRC-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21FN4OS/c1-14-9-16(21)4-5-18(14)20(26)25-7-2-3-15(10-25)19-22-6-8-24(19)11-17-12-27-13-23-17/h4-6,8-9,12-13,15H,2-3,7,10-11H2,1H3/t15-/m0/s1.
What are the key properties of (4-fluoro-2-methylphenyl)-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(4-fluoro-2-methylphenyl)-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 384.48 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 97281812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).