1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone

C20H28N4O2S — CID 165427482

IUPAC1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone
SMILESCOCCN(C)CC(=O)N1CCC(c2ccccc2)(c2csc(N)n2)CC1
InChIInChI=1S/C20H28N4O2S/c1-23(12-13-26-2)14-18(25)24-10-8-20(9-11-24,16-6-4-3-5-7-16)17-15-27-19(21)22-17/h3-7,15H,8-14H2,1-2H3,(H2,21,22)
InChIKeyOOUSUFPNFCSGNB-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.21
Rot. Bonds7

About 1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone

1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone (PubChem CID 165427482) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone
PubChem CID165427482
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone
SMILESCOCCN(C)CC(=O)N1CCC(c2ccccc2)(c2csc(N)n2)CC1
InChIInChI=1S/C20H28N4O2S/c1-23(12-13-26-2)14-18(25)24-10-8-20(9-11-24,16-6-4-3-5-7-16)17-15-27-19(21)22-17/h3-7,15H,8-14H2,1-2H3,(H2,21,22)
InChIKeyOOUSUFPNFCSGNB-UHFFFAOYSA-N
XLogP2.21
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone with MolForge

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Related Compounds

1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 165418490
3-[3-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 165420685
1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-3-pyrazin-2-ylpropan-1-one
CID 165426837
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone
CID 165423031
(2-amino-1,3-thiazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone
CID 165426176
methyl 2-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]piperidine-1-carboxylate
CID 165421768
(3-amino-1H-pyrazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone
CID 165418796
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone;dihydrochloride
CID 166599615
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 165419776
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 165423923
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 164691216
[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea
CID 164691667

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone?
The IUPAC name of 1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone (CID 165427482) is 1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone.
What is the SMILES notation for 1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone?
The canonical SMILES for 1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone is COCCN(C)CC(=O)N1CCC(c2ccccc2)(c2csc(N)n2)CC1.
What is the InChIKey of 1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone?
The InChIKey is OOUSUFPNFCSGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-23(12-13-26-2)14-18(25)24-10-8-20(9-11-24,16-6-4-3-5-7-16)17-15-27-19(21)22-17/h3-7,15H,8-14H2,1-2H3,(H2,21,22).
What are the key properties of 1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone?
1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone has a molecular weight of 388.54 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone is sourced from PubChem (CID 165427482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).