3-[3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one

C19H24ClN3O3S — CID 55490587

IUPAC3-[3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCC(=O)N1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C19H24ClN3O3S/c1-15-14-27-19(25)23(15)7-6-18(24)22-10-8-21(9-11-22)12-13-26-17-5-3-2-4-16(17)20/h2-5,14H,6-13H2,1H3
InChIKeyHNISCVNFZDZTCO-UHFFFAOYSA-N
MW409.94 g/mol
LogP2.48
Rot. Bonds7

About 3-[3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one

3-[3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 55490587) has the molecular formula C19H24ClN3O3S and a molecular weight of 409.94 g/mol. Its IUPAC name is 3-[3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one
PubChem CID55490587
Molecular FormulaC19H24ClN3O3S
Molecular Weight409.94 g/mol
Exact Mass409.12
IUPAC Name3-[3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCC(=O)N1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C19H24ClN3O3S/c1-15-14-27-19(25)23(15)7-6-18(24)22-10-8-21(9-11-22)12-13-26-17-5-3-2-4-16(17)20/h2-5,14H,6-13H2,1H3
InChIKeyHNISCVNFZDZTCO-UHFFFAOYSA-N
XLogP2.48
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119839360
3-[3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 24584385
3-[3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one
CID 27163542
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 47014936
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 78787888
2-(2-chlorophenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 55361413
1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 33323329
N-(2,6-dimethylphenyl)-2-[4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperazin-1-yl]acetamide
CID 31785049
(5-bromo-3-methylfuran-2-yl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone
CID 55776048
1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 24584414
4-(2-chlorophenoxy)-1-[4-(3-methoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536281
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55830155

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one (CID 55490587) is 3-[3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CCC(=O)N1CCN(CCOc2ccccc2Cl)CC1.
What is the InChIKey of 3-[3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is HNISCVNFZDZTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3S/c1-15-14-27-19(25)23(15)7-6-18(24)22-10-8-21(9-11-22)12-13-26-17-5-3-2-4-16(17)20/h2-5,14H,6-13H2,1H3.
What are the key properties of 3-[3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one?
3-[3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 409.94 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 55490587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).