2-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one

C21H27N3O3S — CID 46979818

IUPAC2-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
SMILESCOc1ccc(CCC2CCN(C(=O)CC3SC4=NCCN4C3=O)CC2)cc1
InChIInChI=1S/C21H27N3O3S/c1-27-17-6-4-15(5-7-17)2-3-16-8-11-23(12-9-16)19(25)14-18-20(26)24-13-10-22-21(24)28-18/h4-7,16,18H,2-3,8-14H2,1H3
InChIKeyKSWRQMOLBQZFCF-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.57
Rot. Bonds6

About 2-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one

2-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 46979818) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 2-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name2-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
PubChem CID46979818
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name2-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
SMILESCOc1ccc(CCC2CCN(C(=O)CC3SC4=NCCN4C3=O)CC2)cc1
InChIInChI=1S/C21H27N3O3S/c1-27-17-6-4-15(5-7-17)2-3-16-8-11-23(12-9-16)19(25)14-18-20(26)24-13-10-22-21(24)28-18/h4-7,16,18H,2-3,8-14H2,1H3
InChIKeyKSWRQMOLBQZFCF-UHFFFAOYSA-N
XLogP2.57
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide
CID 2951375
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 55481734
3-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxylic acid
CID 69258628
[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56813827
1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 55465062
[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 75464002
4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 146129180
[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone
CID 55519032
2-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]phenoxy]acetamide
CID 17409629
3-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46669646
1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 55465695
(5S)-3-[2-(4-methoxyphenyl)ethyl]-5-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 75491171

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of 2-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one (CID 46979818) is 2-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for 2-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for 2-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one is COc1ccc(CCC2CCN(C(=O)CC3SC4=NCCN4C3=O)CC2)cc1.
What is the InChIKey of 2-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is KSWRQMOLBQZFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-27-17-6-4-15(5-7-17)2-3-16-8-11-23(12-9-16)19(25)14-18-20(26)24-13-10-22-21(24)28-18/h4-7,16,18H,2-3,8-14H2,1H3.
What are the key properties of 2-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
2-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 401.53 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 46979818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).