[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-[4-(1,2-thiazolidin-2-ylmethyl)phenyl]methanone

C22H28N4OS — CID 71262917

IUPAC[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-[4-(1,2-thiazolidin-2-ylmethyl)phenyl]methanone
SMILESCc1cnc(N2CCN(C(=O)c3ccc(CN4CCCS4)cc3)CC2)c(C)c1
InChIInChI=1S/C22H28N4OS/c1-17-14-18(2)21(23-15-17)24-9-11-25(12-10-24)22(27)20-6-4-19(5-7-20)16-26-8-3-13-28-26/h4-7,14-15H,3,8-13,16H2,1-2H3
InChIKeyFYLJGUPLFQFEER-UHFFFAOYSA-N
MW396.56 g/mol
LogP3.51
Rot. Bonds4

About [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-[4-(1,2-thiazolidin-2-ylmethyl)phenyl]methanone

[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-[4-(1,2-thiazolidin-2-ylmethyl)phenyl]methanone (PubChem CID 71262917) has the molecular formula C22H28N4OS and a molecular weight of 396.56 g/mol. Its IUPAC name is [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-[4-(1,2-thiazolidin-2-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-[4-(1,2-thiazolidin-2-ylmethyl)phenyl]methanone
PubChem CID71262917
Molecular FormulaC22H28N4OS
Molecular Weight396.56 g/mol
Exact Mass396.20
IUPAC Name[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-[4-(1,2-thiazolidin-2-ylmethyl)phenyl]methanone
SMILESCc1cnc(N2CCN(C(=O)c3ccc(CN4CCCS4)cc3)CC2)c(C)c1
InChIInChI=1S/C22H28N4OS/c1-17-14-18(2)21(23-15-17)24-9-11-25(12-10-24)22(27)20-6-4-19(5-7-20)16-26-8-3-13-28-26/h4-7,14-15H,3,8-13,16H2,1-2H3
InChIKeyFYLJGUPLFQFEER-UHFFFAOYSA-N
XLogP3.51
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-[4-[(2S)-1-methylsulfonylpropan-2-yl]phenyl]methanone
CID 147325253
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-methylimidazolidine-2,4-dione
CID 71252985
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 141265306
4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carboxylic acid
CID 141315989
(3S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione;(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione
CID 158249149
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-[4-[(1S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]phenyl]methanone
CID 71253066
(5-bromo-3-pyridinyl)-[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]methanone
CID 67381229
(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-5-methylpyrrolidin-2-one
CID 141370907
(4S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 67381184
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(6-fluoro-4-methyl-3-pyridinyl)methanone
CID 71252935
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 134494465
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5,5-dimethylpyrrolidin-2-one
CID 141370646

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-[4-(1,2-thiazolidin-2-ylmethyl)phenyl]methanone?
The IUPAC name of [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-[4-(1,2-thiazolidin-2-ylmethyl)phenyl]methanone (CID 71262917) is [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-[4-(1,2-thiazolidin-2-ylmethyl)phenyl]methanone.
What is the SMILES notation for [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-[4-(1,2-thiazolidin-2-ylmethyl)phenyl]methanone?
The canonical SMILES for [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-[4-(1,2-thiazolidin-2-ylmethyl)phenyl]methanone is Cc1cnc(N2CCN(C(=O)c3ccc(CN4CCCS4)cc3)CC2)c(C)c1.
What is the InChIKey of [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-[4-(1,2-thiazolidin-2-ylmethyl)phenyl]methanone?
The InChIKey is FYLJGUPLFQFEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4OS/c1-17-14-18(2)21(23-15-17)24-9-11-25(12-10-24)22(27)20-6-4-19(5-7-20)16-26-8-3-13-28-26/h4-7,14-15H,3,8-13,16H2,1-2H3.
What are the key properties of [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-[4-(1,2-thiazolidin-2-ylmethyl)phenyl]methanone?
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-[4-(1,2-thiazolidin-2-ylmethyl)phenyl]methanone has a molecular weight of 396.56 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-[4-(1,2-thiazolidin-2-ylmethyl)phenyl]methanone is sourced from PubChem (CID 71262917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).