5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-4-methyl-1,3-thiazolidin-2-one

C19H29N3O2S — CID 57185140

IUPAC5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-4-methyl-1,3-thiazolidin-2-one
SMILESCCOc1ccccc1N1CCN(CCCC2SC(=O)NC2C)CC1
InChIInChI=1S/C19H29N3O2S/c1-3-24-17-8-5-4-7-16(17)22-13-11-21(12-14-22)10-6-9-18-15(2)20-19(23)25-18/h4-5,7-8,15,18H,3,6,9-14H2,1-2H3,(H,20,23)
InChIKeyDFBNBLGXMIBTAW-UHFFFAOYSA-N
MW363.53 g/mol
LogP3.20
Rot. Bonds7

About 5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-4-methyl-1,3-thiazolidin-2-one

5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-4-methyl-1,3-thiazolidin-2-one (PubChem CID 57185140) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is 5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-4-methyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-4-methyl-1,3-thiazolidin-2-one
PubChem CID57185140
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC Name5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-4-methyl-1,3-thiazolidin-2-one
SMILESCCOc1ccccc1N1CCN(CCCC2SC(=O)NC2C)CC1
InChIInChI=1S/C19H29N3O2S/c1-3-24-17-8-5-4-7-16(17)22-13-11-21(12-14-22)10-6-9-18-15(2)20-19(23)25-18/h4-5,7-8,15,18H,3,6,9-14H2,1-2H3,(H,20,23)
InChIKeyDFBNBLGXMIBTAW-UHFFFAOYSA-N
XLogP3.20
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
CID 33055181
4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid
CID 119134368
5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;hydrate;hydrochloride
CID 19811459
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine
CID 86795517
3-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone
CID 59144729
3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 177378521
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
CID 127042300
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone
CID 8703557
3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propan-1-amine
CID 21473467
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine
CID 139598682
(5E)-3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 118050342
3-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-(4-phenylpiperidin-1-yl)propan-1-one
CID 110185748

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-4-methyl-1,3-thiazolidin-2-one?
The IUPAC name of 5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-4-methyl-1,3-thiazolidin-2-one (CID 57185140) is 5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-4-methyl-1,3-thiazolidin-2-one.
What is the SMILES notation for 5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-4-methyl-1,3-thiazolidin-2-one?
The canonical SMILES for 5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-4-methyl-1,3-thiazolidin-2-one is CCOc1ccccc1N1CCN(CCCC2SC(=O)NC2C)CC1.
What is the InChIKey of 5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-4-methyl-1,3-thiazolidin-2-one?
The InChIKey is DFBNBLGXMIBTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-3-24-17-8-5-4-7-16(17)22-13-11-21(12-14-22)10-6-9-18-15(2)20-19(23)25-18/h4-5,7-8,15,18H,3,6,9-14H2,1-2H3,(H,20,23).
What are the key properties of 5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-4-methyl-1,3-thiazolidin-2-one?
5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-4-methyl-1,3-thiazolidin-2-one has a molecular weight of 363.53 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-4-methyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 57185140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).