2-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-phenylethanone

C21H26N2O3S — CID 75426197

IUPAC2-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-phenylethanone
SMILESCC(C)(C)c1nc(CC(=O)N2CCOCC2CC(=O)c2ccccc2)cs1
InChIInChI=1S/C21H26N2O3S/c1-21(2,3)20-22-16(14-27-20)11-19(25)23-9-10-26-13-17(23)12-18(24)15-7-5-4-6-8-15/h4-8,14,17H,9-13H2,1-3H3
InChIKeySUBSBZQPOORHMK-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.48
Rot. Bonds5

About 2-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-phenylethanone

2-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-phenylethanone (PubChem CID 75426197) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-phenylethanone
PubChem CID75426197
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name2-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-phenylethanone
SMILESCC(C)(C)c1nc(CC(=O)N2CCOCC2CC(=O)c2ccccc2)cs1
InChIInChI=1S/C21H26N2O3S/c1-21(2,3)20-22-16(14-27-20)11-19(25)23-9-10-26-13-17(23)12-18(24)15-7-5-4-6-8-15/h4-8,14,17H,9-13H2,1-3H3
InChIKeySUBSBZQPOORHMK-UHFFFAOYSA-N
XLogP3.48
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-2-[(3S)-4-(2-thiophen-2-ylacetyl)morpholin-3-yl]ethanone
CID 97320577
2-[(3R)-4-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 97059723
1-(4-methylphenyl)-4-[(3S)-3-phenacylmorpholin-4-yl]butane-1,4-dione
CID 97320578
2-[4-(2-ethyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]-1-phenylethanone
CID 75426196
3-(5-methylfuran-2-yl)-1-[(3S)-3-phenacylmorpholin-4-yl]propan-1-one
CID 97320572
2-[(3S)-4-(2-methylsulfanylethyl)morpholin-3-yl]-1-phenylethanone
CID 99855759
1-phenyl-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]ethanone
CID 86796786
(2S)-1-[(3R)-3-phenacylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one
CID 97320552
1-(3-phenacylmorpholin-4-yl)-2-pyrazol-1-ylpropan-1-one
CID 75426175
(3R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid
CID 125133146
tert-butyl 3-[2-(4-methylphenyl)-2-oxoethyl]morpholine-4-carboxylate
CID 104855099
2-(2-tert-butyl-1,3-thiazol-4-yl)-1-(2,3-dimethylpiperazin-1-yl)ethanone;dihydrochloride
CID 120569829

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-phenylethanone?
The IUPAC name of 2-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-phenylethanone (CID 75426197) is 2-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-phenylethanone.
What is the SMILES notation for 2-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-phenylethanone?
The canonical SMILES for 2-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-phenylethanone is CC(C)(C)c1nc(CC(=O)N2CCOCC2CC(=O)c2ccccc2)cs1.
What is the InChIKey of 2-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-phenylethanone?
The InChIKey is SUBSBZQPOORHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-21(2,3)20-22-16(14-27-20)11-19(25)23-9-10-26-13-17(23)12-18(24)15-7-5-4-6-8-15/h4-8,14,17H,9-13H2,1-3H3.
What are the key properties of 2-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-phenylethanone?
2-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-phenylethanone has a molecular weight of 386.52 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-phenylethanone is sourced from PubChem (CID 75426197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).