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

C27H27FN4O2S — CID 67157832

IUPAC[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone
SMILESCOc1cccc(-c2cnc(CC3CCCCN3C(=O)c3nc(C)sc3-c3ccc(F)cc3)[nH]2)c1
InChIInChI=1S/C27H27FN4O2S/c1-17-30-25(26(35-17)18-9-11-20(28)12-10-18)27(33)32-13-4-3-7-21(32)15-24-29-16-23(31-24)19-6-5-8-22(14-19)34-2/h5-6,8-12,14,16,21H,3-4,7,13,15H2,1-2H3,(H,29,31)
InChIKeyBYZALAUOTBAHFR-UHFFFAOYSA-N
MW490.60 g/mol
LogP5.89
Rot. Bonds6

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

[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone (PubChem CID 67157832) has the molecular formula C27H27FN4O2S and a molecular weight of 490.60 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone
PubChem CID67157832
Molecular FormulaC27H27FN4O2S
Molecular Weight490.60 g/mol
Exact Mass490.18
IUPAC Name[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone
SMILESCOc1cccc(-c2cnc(CC3CCCCN3C(=O)c3nc(C)sc3-c3ccc(F)cc3)[nH]2)c1
InChIInChI=1S/C27H27FN4O2S/c1-17-30-25(26(35-17)18-9-11-20(28)12-10-18)27(33)32-13-4-3-7-21(32)15-24-29-16-23(31-24)19-6-5-8-22(14-19)34-2/h5-6,8-12,14,16,21H,3-4,7,13,15H2,1-2H3,(H,29,31)
InChIKeyBYZALAUOTBAHFR-UHFFFAOYSA-N
XLogP5.89
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone (CID 67157832) is [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone is COc1cccc(-c2cnc(CC3CCCCN3C(=O)c3nc(C)sc3-c3ccc(F)cc3)[nH]2)c1.
What is the InChIKey of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is BYZALAUOTBAHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O2S/c1-17-30-25(26(35-17)18-9-11-20(28)12-10-18)27(33)32-13-4-3-7-21(32)15-24-29-16-23(31-24)19-6-5-8-22(14-19)34-2/h5-6,8-12,14,16,21H,3-4,7,13,15H2,1-2H3,(H,29,31).
What are the key properties of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone?
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 490.60 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 67157832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).