[(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone

C26H24F2N4OS — CID 67158229

IUPAC[(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
SMILESCc1nc(C(=O)N2CCCC[C@H]2Cc2ncc(-c3ccc(F)cc3)[nH]2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C26H24F2N4OS/c1-16-30-24(25(34-16)18-7-11-20(28)12-8-18)26(33)32-13-3-2-4-21(32)14-23-29-15-22(31-23)17-5-9-19(27)10-6-17/h5-12,15,21H,2-4,13-14H2,1H3,(H,29,31)/t21-/m0/s1
InChIKeyJAUASROAVCYVHF-NRFANRHFSA-N
MW478.57 g/mol
LogP6.02
Rot. Bonds5

About [(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone

[(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone (PubChem CID 67158229) has the molecular formula C26H24F2N4OS and a molecular weight of 478.57 g/mol. Its IUPAC name is [(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
PubChem CID67158229
Molecular FormulaC26H24F2N4OS
Molecular Weight478.57 g/mol
Exact Mass478.16
IUPAC Name[(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
SMILESCc1nc(C(=O)N2CCCC[C@H]2Cc2ncc(-c3ccc(F)cc3)[nH]2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C26H24F2N4OS/c1-16-30-24(25(34-16)18-7-11-20(28)12-8-18)26(33)32-13-3-2-4-21(32)14-23-29-15-22(31-23)17-5-9-19(27)10-6-17/h5-12,15,21H,2-4,13-14H2,1H3,(H,29,31)/t21-/m0/s1
InChIKeyJAUASROAVCYVHF-NRFANRHFSA-N
XLogP6.02
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.57
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
The IUPAC name of [(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone (CID 67158229) is [(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone is Cc1nc(C(=O)N2CCCC[C@H]2Cc2ncc(-c3ccc(F)cc3)[nH]2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of [(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
The InChIKey is JAUASROAVCYVHF-NRFANRHFSA-N. The full InChI is InChI=1S/C26H24F2N4OS/c1-16-30-24(25(34-16)18-7-11-20(28)12-8-18)26(33)32-13-3-2-4-21(32)14-23-29-15-22(31-23)17-5-9-19(27)10-6-17/h5-12,15,21H,2-4,13-14H2,1H3,(H,29,31)/t21-/m0/s1.
What are the key properties of [(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone?
[(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone has a molecular weight of 478.57 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 67158229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).