[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone

C15H19Cl2N3OS — CID 72857510

IUPAC[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone
SMILESCN1CSC[C@H]1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H19Cl2N3OS/c1-18-10-22-9-14(18)15(21)20-6-4-19(5-7-20)11-2-3-12(16)13(17)8-11/h2-3,8,14H,4-7,9-10H2,1H3/t14-/m0/s1
InChIKeySJRNAPPFOUHEMC-AWEZNQCLSA-N
MW360.31 g/mol
LogP2.65
Rot. Bonds2

About [4-(3,4-dichlorophenyl)piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone

[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone (PubChem CID 72857510) has the molecular formula C15H19Cl2N3OS and a molecular weight of 360.31 g/mol. Its IUPAC name is [4-(3,4-dichlorophenyl)piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone
PubChem CID72857510
Molecular FormulaC15H19Cl2N3OS
Molecular Weight360.31 g/mol
Exact Mass359.06
IUPAC Name[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone
SMILESCN1CSC[C@H]1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H19Cl2N3OS/c1-18-10-22-9-14(18)15(21)20-6-4-19(5-7-20)11-2-3-12(16)13(17)8-11/h2-3,8,14H,4-7,9-10H2,1H3/t14-/m0/s1
InChIKeySJRNAPPFOUHEMC-AWEZNQCLSA-N
XLogP2.65
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(3,4-dichlorophenyl)piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone with MolForge

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Related Compounds

[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone
CID 70787122
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971476
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247457
[4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;ethane
CID 143492010
tert-butyl (2S)-4-tert-butyl-2-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]piperazine-1-carboxylate
CID 90990666
4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide
CID 3323200
[4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;dihydrochloride
CID 67158369
(2R)-2-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-4-pentan-2-ylpiperazine-1-carboxylic acid
CID 69105361
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]pentan-1-one
CID 17217206
tert-butyl (2R)-4-cyclopropyl-2-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]piperazine-1-carboxylate
CID 59846115
sodium 4-(3,4-dichlorophenyl)piperazine-1-carbodithioic acid
CID 54608754
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propan-1-one
CID 70738213

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dichlorophenyl)piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of [4-(3,4-dichlorophenyl)piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone (CID 72857510) is [4-(3,4-dichlorophenyl)piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for [4-(3,4-dichlorophenyl)piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for [4-(3,4-dichlorophenyl)piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone is CN1CSC[C@H]1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of [4-(3,4-dichlorophenyl)piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone?
The InChIKey is SJRNAPPFOUHEMC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19Cl2N3OS/c1-18-10-22-9-14(18)15(21)20-6-4-19(5-7-20)11-2-3-12(16)13(17)8-11/h2-3,8,14H,4-7,9-10H2,1H3/t14-/m0/s1.
What are the key properties of [4-(3,4-dichlorophenyl)piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone?
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone has a molecular weight of 360.31 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dichlorophenyl)piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 72857510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).