3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2-methyl-1,3-thiazolidin-4-one

C18H26ClN3OS — CID 10571019

IUPAC3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2-methyl-1,3-thiazolidin-4-one
SMILESCC1SCC(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H26ClN3OS/c1-15-22(18(23)14-24-15)8-3-2-7-20-9-11-21(12-10-20)17-6-4-5-16(19)13-17/h4-6,13,15H,2-3,7-12,14H2,1H3
InChIKeyPYSHHWRNGOOSFR-UHFFFAOYSA-N
MW367.95 g/mol
LogP3.16
Rot. Bonds6

About 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2-methyl-1,3-thiazolidin-4-one

3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2-methyl-1,3-thiazolidin-4-one (PubChem CID 10571019) has the molecular formula C18H26ClN3OS and a molecular weight of 367.95 g/mol. Its IUPAC name is 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2-methyl-1,3-thiazolidin-4-one
PubChem CID10571019
Molecular FormulaC18H26ClN3OS
Molecular Weight367.95 g/mol
Exact Mass367.15
IUPAC Name3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2-methyl-1,3-thiazolidin-4-one
SMILESCC1SCC(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H26ClN3OS/c1-15-22(18(23)14-24-15)8-3-2-7-20-9-11-21(12-10-20)17-6-4-5-16(19)13-17/h4-6,13,15H,2-3,7-12,14H2,1H3
InChIKeyPYSHHWRNGOOSFR-UHFFFAOYSA-N
XLogP3.16
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.95
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2-methyl-1,3-thiazolidin-4-one (CID 10571019) is 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2-methyl-1,3-thiazolidin-4-one is CC1SCC(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2-methyl-1,3-thiazolidin-4-one?
The InChIKey is PYSHHWRNGOOSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3OS/c1-15-22(18(23)14-24-15)8-3-2-7-20-9-11-21(12-10-20)17-6-4-5-16(19)13-17/h4-6,13,15H,2-3,7-12,14H2,1H3.
What are the key properties of 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2-methyl-1,3-thiazolidin-4-one?
3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2-methyl-1,3-thiazolidin-4-one has a molecular weight of 367.95 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 10571019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).