oxolan-2-yl-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]methanone

C22H29N3O2S — CID 78787878

IUPACoxolan-2-yl-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCC(C)c1ccc(-c2ncc(CN3CCN(C(=O)C4CCCO4)CC3)s2)cc1
InChIInChI=1S/C22H29N3O2S/c1-16(2)17-5-7-18(8-6-17)21-23-14-19(28-21)15-24-9-11-25(12-10-24)22(26)20-4-3-13-27-20/h5-8,14,16,20H,3-4,9-13,15H2,1-2H3
InChIKeyXYAVTGYZNJRUSE-UHFFFAOYSA-N
MW399.56 g/mol
LogP3.76
Rot. Bonds5

About oxolan-2-yl-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]methanone

oxolan-2-yl-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]methanone (PubChem CID 78787878) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is oxolan-2-yl-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]methanone
PubChem CID78787878
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC Nameoxolan-2-yl-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCC(C)c1ccc(-c2ncc(CN3CCN(C(=O)C4CCCO4)CC3)s2)cc1
InChIInChI=1S/C22H29N3O2S/c1-16(2)17-5-7-18(8-6-17)21-23-14-19(28-21)15-24-9-11-25(12-10-24)22(26)20-4-3-13-27-20/h5-8,14,16,20H,3-4,9-13,15H2,1-2H3
InChIKeyXYAVTGYZNJRUSE-UHFFFAOYSA-N
XLogP3.76
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze oxolan-2-yl-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

morpholin-4-yl-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanone
CID 78836439
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247014
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971292
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 110807177
2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
CID 40642009
2-(4-propan-2-ylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 78787507
[(2S)-oxolan-2-yl]-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 51963972
[4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 37399558
[(2R)-oxolan-2-yl]-[4-(1,3-thiazol-5-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 134714404
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 9237767
[4-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95311750
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 134046835

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]methanone (CID 78787878) is oxolan-2-yl-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]methanone is CC(C)c1ccc(-c2ncc(CN3CCN(C(=O)C4CCCO4)CC3)s2)cc1.
What is the InChIKey of oxolan-2-yl-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is XYAVTGYZNJRUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-16(2)17-5-7-18(8-6-17)21-23-14-19(28-21)15-24-9-11-25(12-10-24)22(26)20-4-3-13-27-20/h5-8,14,16,20H,3-4,9-13,15H2,1-2H3.
What are the key properties of oxolan-2-yl-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]methanone?
oxolan-2-yl-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 399.56 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 78787878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).