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

C23H32N4O2S — CID 78835226

IUPAC2-morpholin-4-yl-1-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(C)c1ccc(-c2ncc(CN3CCN(C(=O)CN4CCOCC4)CC3)s2)cc1
InChIInChI=1S/C23H32N4O2S/c1-18(2)19-3-5-20(6-4-19)23-24-15-21(30-23)16-25-7-9-27(10-8-25)22(28)17-26-11-13-29-14-12-26/h3-6,15,18H,7-14,16-17H2,1-2H3
InChIKeyUFWYQVBLDAMWRR-UHFFFAOYSA-N
MW428.60 g/mol
LogP2.91
Rot. Bonds6

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

2-morpholin-4-yl-1-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 78835226) has the molecular formula C23H32N4O2S and a molecular weight of 428.60 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanone
PubChem CID78835226
Molecular FormulaC23H32N4O2S
Molecular Weight428.60 g/mol
Exact Mass428.22
IUPAC Name2-morpholin-4-yl-1-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(C)c1ccc(-c2ncc(CN3CCN(C(=O)CN4CCOCC4)CC3)s2)cc1
InChIInChI=1S/C23H32N4O2S/c1-18(2)19-3-5-20(6-4-19)23-24-15-21(30-23)16-25-7-9-27(10-8-25)22(28)17-26-11-13-29-14-12-26/h3-6,15,18H,7-14,16-17H2,1-2H3
InChIKeyUFWYQVBLDAMWRR-UHFFFAOYSA-N
XLogP2.91
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

oxolan-2-yl-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 78787878
morpholin-4-yl-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanone
CID 78836439
1-morpholin-4-yl-2-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 126777513
2-(4-propan-2-ylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 78787507
1-piperidin-1-yl-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanone
CID 9208442
N-[1-(4-ethylphenyl)ethyl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
CID 86916143
2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 120897637
1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]ethanone
CID 55494144
2-amino-2-(4-methylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 120669397
N-(3,4-dichlorophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 78835221
N-[4-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide
CID 134809052
1-morpholin-4-yl-2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]ethanone
CID 78852647

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-morpholin-4-yl-1-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanone (CID 78835226) is 2-morpholin-4-yl-1-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-morpholin-4-yl-1-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanone is CC(C)c1ccc(-c2ncc(CN3CCN(C(=O)CN4CCOCC4)CC3)s2)cc1.
What is the InChIKey of 2-morpholin-4-yl-1-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is UFWYQVBLDAMWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2S/c1-18(2)19-3-5-20(6-4-19)23-24-15-21(30-23)16-25-7-9-27(10-8-25)22(28)17-26-11-13-29-14-12-26/h3-6,15,18H,7-14,16-17H2,1-2H3.
What are the key properties of 2-morpholin-4-yl-1-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanone?
2-morpholin-4-yl-1-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 428.60 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 78835226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).