(2R)-2-phenyl-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one

C21H24N4OS — CID 97283623

IUPAC(2R)-2-phenyl-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
SMILESC[C@@H](C(=O)N1CCC(c2nccn2Cc2cscn2)CC1)c1ccccc1
InChIInChI=1S/C21H24N4OS/c1-16(17-5-3-2-4-6-17)21(26)24-10-7-18(8-11-24)20-22-9-12-25(20)13-19-14-27-15-23-19/h2-6,9,12,14-16,18H,7-8,10-11,13H2,1H3/t16-/m1/s1
InChIKeyOFDUMRFKCYBFOI-MRXNPFEDSA-N
MW380.52 g/mol
LogP3.90
Rot. Bonds5

About (2R)-2-phenyl-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one

(2R)-2-phenyl-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 97283623) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is (2R)-2-phenyl-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-phenyl-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
PubChem CID97283623
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name(2R)-2-phenyl-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
SMILESC[C@@H](C(=O)N1CCC(c2nccn2Cc2cscn2)CC1)c1ccccc1
InChIInChI=1S/C21H24N4OS/c1-16(17-5-3-2-4-6-17)21(26)24-10-7-18(8-11-24)20-22-9-12-25(20)13-19-14-27-15-23-19/h2-6,9,12,14-16,18H,7-8,10-11,13H2,1H3/t16-/m1/s1
InChIKeyOFDUMRFKCYBFOI-MRXNPFEDSA-N
XLogP3.90
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-phenylpropan-1-one
CID 97206870
(3-hydroxy-2-pyridinyl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 70745460
2-(5-methylpyrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 70787429
(3-fluorophenyl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 70736916
1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 72911781
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-4-methylpentan-1-one
CID 70744906
4-[[2-(1-pyrimidin-2-ylpiperidin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole
CID 70744946
4-[[2-[1-(2-phenoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 70771001
propan-2-yl (3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxylate
CID 97210106
2-(tetrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 72872657
(4S)-1-ethyl-4-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 97280064
2-(2-methylphenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97278410

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-phenyl-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one (CID 97283623) is (2R)-2-phenyl-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-phenyl-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-phenyl-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one is C[C@@H](C(=O)N1CCC(c2nccn2Cc2cscn2)CC1)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is OFDUMRFKCYBFOI-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-16(17-5-3-2-4-6-17)21(26)24-10-7-18(8-11-24)20-22-9-12-25(20)13-19-14-27-15-23-19/h2-6,9,12,14-16,18H,7-8,10-11,13H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-2-phenyl-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one?
(2R)-2-phenyl-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 380.52 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 97283623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).