1-[2-[4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-oxoethyl]-3-ethylimidazol-2-one

C25H32N4O2S — CID 23649019

IUPAC1-[2-[4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-oxoethyl]-3-ethylimidazol-2-one
SMILESCCn1ccn(CC(=O)N2CCC(c3csc(-c4ccc(C(C)(C)C)cc4)n3)CC2)c1=O
InChIInChI=1S/C25H32N4O2S/c1-5-27-14-15-29(24(27)31)16-22(30)28-12-10-18(11-13-28)21-17-32-23(26-21)19-6-8-20(9-7-19)25(2,3)4/h6-9,14-15,17-18H,5,10-13,16H2,1-4H3
InChIKeyKOLFRJDMBAULCO-UHFFFAOYSA-N
MW452.62 g/mol
LogP4.50
Rot. Bonds5

About 1-[2-[4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-oxoethyl]-3-ethylimidazol-2-one

1-[2-[4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-oxoethyl]-3-ethylimidazol-2-one (PubChem CID 23649019) has the molecular formula C25H32N4O2S and a molecular weight of 452.62 g/mol. Its IUPAC name is 1-[2-[4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-oxoethyl]-3-ethylimidazol-2-one.

Molecular Properties

Compound Name1-[2-[4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-oxoethyl]-3-ethylimidazol-2-one
PubChem CID23649019
Molecular FormulaC25H32N4O2S
Molecular Weight452.62 g/mol
Exact Mass452.22
IUPAC Name1-[2-[4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-oxoethyl]-3-ethylimidazol-2-one
SMILESCCn1ccn(CC(=O)N2CCC(c3csc(-c4ccc(C(C)(C)C)cc4)n3)CC2)c1=O
InChIInChI=1S/C25H32N4O2S/c1-5-27-14-15-29(24(27)31)16-22(30)28-12-10-18(11-13-28)21-17-32-23(26-21)19-6-8-20(9-7-19)25(2,3)4/h6-9,14-15,17-18H,5,10-13,16H2,1-4H3
InChIKeyKOLFRJDMBAULCO-UHFFFAOYSA-N
XLogP4.50
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.62
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[3-[2-[4-[2-(3,5-ditert-butyl-4-methoxyphenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-oxoethyl]-2-oxoimidazol-1-yl]acetate
CID 68699172
1-[4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-imidazo[4,5-c]pyridin-1-ylethanone
CID 135616773
1-[4-[2-(3,5-ditert-butyl-4-methoxyphenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-[5-(hydroxymethyl)-4-methylimidazol-1-yl]ethanone
CID 23648771
potassium 2-[1-[2-[4-[2-[3-tert-butyl-5-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-4-yl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrazol-3-yl]acetate
CID 23672362
2-(4-chloro-2,5-dimethylimidazol-1-yl)-1-[4-[2-(3,5-ditert-butyl-4-methoxyphenyl)-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
CID 23648714
2-[1-[2-[4-[2-(3,5-ditert-butyl-4-methoxyphenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-oxoethyl]-4-methylpyrazol-3-yl]acetic acid;bis(2,2,2-trifluoroacetic acid)
CID 23648658
1-[4-(2-aminoethyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 166241022
1-pyrrolidin-1-yl-2-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 24628228
3-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]-2-(4,4,4-trifluorobutyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-one
CID 129198203
tert-butyl 4-methyl-5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 167905968
2-cyclopropyl-2-methyl-4-oxo-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]pentanoic acid
CID 162238967
tert-butyl 4-(2-quinolin-4-yl-1,3-thiazol-4-yl)piperidine-1-carboxylate
CID 167762752

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-oxoethyl]-3-ethylimidazol-2-one?
The IUPAC name of 1-[2-[4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-oxoethyl]-3-ethylimidazol-2-one (CID 23649019) is 1-[2-[4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-oxoethyl]-3-ethylimidazol-2-one.
What is the SMILES notation for 1-[2-[4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-oxoethyl]-3-ethylimidazol-2-one?
The canonical SMILES for 1-[2-[4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-oxoethyl]-3-ethylimidazol-2-one is CCn1ccn(CC(=O)N2CCC(c3csc(-c4ccc(C(C)(C)C)cc4)n3)CC2)c1=O.
What is the InChIKey of 1-[2-[4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-oxoethyl]-3-ethylimidazol-2-one?
The InChIKey is KOLFRJDMBAULCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2S/c1-5-27-14-15-29(24(27)31)16-22(30)28-12-10-18(11-13-28)21-17-32-23(26-21)19-6-8-20(9-7-19)25(2,3)4/h6-9,14-15,17-18H,5,10-13,16H2,1-4H3.
What are the key properties of 1-[2-[4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-oxoethyl]-3-ethylimidazol-2-one?
1-[2-[4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-oxoethyl]-3-ethylimidazol-2-one has a molecular weight of 452.62 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-oxoethyl]-3-ethylimidazol-2-one is sourced from PubChem (CID 23649019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).