1-[4-[3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperazin-1-yl]ethanone

C18H23N3O4S — CID 3960804

IUPAC1-[4-[3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(C(=O)N2CSCC2C(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C18H23N3O4S/c1-13(22)19-7-9-20(10-8-19)18(24)16-11-26-12-21(16)17(23)14-3-5-15(25-2)6-4-14/h3-6,16H,7-12H2,1-2H3
InChIKeyQUNXTSNSUWGMAO-UHFFFAOYSA-N
MW377.47 g/mol
LogP0.90
Rot. Bonds3

About 1-[4-[3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperazin-1-yl]ethanone

1-[4-[3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 3960804) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 1-[4-[3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID3960804
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name1-[4-[3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(C(=O)N2CSCC2C(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C18H23N3O4S/c1-13(22)19-7-9-20(10-8-19)18(24)16-11-26-12-21(16)17(23)14-3-5-15(25-2)6-4-14/h3-6,16H,7-12H2,1-2H3
InChIKeyQUNXTSNSUWGMAO-UHFFFAOYSA-N
XLogP0.90
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(4R)-3-[4-(2,4-difluorophenoxy)benzoyl]-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone
CID 99807203
[4-(benzenesulfonyl)piperazin-1-yl]-[(4R)-3-benzoyl-1,3-thiazolidin-4-yl]methanone
CID 55941492
(4S)-N-(4-methoxyphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95233109
3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 120549774
(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone
CID 11194838
6-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174920
3-acetyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 51093664
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
6-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]pyridine-2-carboxylic acid
CID 119183482
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-chlorobenzoyl)-1,3-thiazolidin-4-yl]methanone
CID 119485673
1-[2-(4-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97449095

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperazin-1-yl]ethanone (CID 3960804) is 1-[4-[3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperazin-1-yl]ethanone is COc1ccc(C(=O)N2CSCC2C(=O)N2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 1-[4-[3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is QUNXTSNSUWGMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-13(22)19-7-9-20(10-8-19)18(24)16-11-26-12-21(16)17(23)14-3-5-15(25-2)6-4-14/h3-6,16H,7-12H2,1-2H3.
What are the key properties of 1-[4-[3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperazin-1-yl]ethanone?
1-[4-[3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 377.47 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 3960804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).