1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone

C15H18ClN3OS2 — CID 2952012

IUPAC1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone
SMILESO=C(CSC1=NCCS1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H18ClN3OS2/c16-12-1-3-13(4-2-12)18-6-8-19(9-7-18)14(20)11-22-15-17-5-10-21-15/h1-4H,5-11H2
InChIKeyMGGYSCKBYIMSHT-UHFFFAOYSA-N
MW355.92 g/mol
LogP2.82
Rot. Bonds3

About 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone (PubChem CID 2952012) has the molecular formula C15H18ClN3OS2 and a molecular weight of 355.92 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone
PubChem CID2952012
Molecular FormulaC15H18ClN3OS2
Molecular Weight355.92 g/mol
Exact Mass355.06
IUPAC Name1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone
SMILESO=C(CSC1=NCCS1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H18ClN3OS2/c16-12-1-3-13(4-2-12)18-6-8-19(9-7-18)14(20)11-22-15-17-5-10-21-15/h1-4H,5-11H2
InChIKeyMGGYSCKBYIMSHT-UHFFFAOYSA-N
XLogP2.82
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.92
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-Chlorophenyl)piperazin-1-yl]ethan-1-one
CID 258327
N-(4-chlorophenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)acetamide
CID 1431156
3-{4-[4-(3-Chloro-phenyl)-piperazin-1-yl]-butyl}-2-methyl-thiazolidin-4-one
CID 10571019
3-{4-[4-(2-Chloro-phenyl)-piperazin-1-yl]-butyl}-thiazolidin-4-one
CID 10831935
3-{4-[4-(3-Chloro-phenyl)-piperazin-1-yl]-butyl}-thiazolidin-4-one
CID 10831936
3-{4-[4-(3-Chloro-phenyl)-piperazin-1-yl]-butyl}-2,2-dimethyl-thiazolidin-4-one
CID 11794256
3-(4-Chlorophenyl)-1,3-thiazolidin-4-one
CID 1475313
2-(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 851595
2-[4-(4-Chloro-phenyl)-piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone
CID 1443644
1-(4-Chloro-phenyl)-3-(4,5-dihydro-thiazol-2-ylsulfanyl)-pyrrolidine-2,5-dione
CID 3127100
2-(4-(4-chlorophenyl)piperazin-1-yl)-5-(propan-2-ylidene)thiazol-4(5H)-one
CID 884205
3-[4-[4-(4-Chlorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
CID 10665799

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone (CID 2952012) is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone is O=C(CSC1=NCCS1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone?
The InChIKey is MGGYSCKBYIMSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS2/c16-12-1-3-13(4-2-12)18-6-8-19(9-7-18)14(20)11-22-15-17-5-10-21-15/h1-4H,5-11H2.
What are the key properties of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone?
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone has a molecular weight of 355.92 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone is sourced from PubChem (CID 2952012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).