[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-(morpholine-4-carbonyl)phenyl]-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazin-1-yl]methanone

C27H35N5O5S — CID 71252746

IUPAC[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-(morpholine-4-carbonyl)phenyl]-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCCc1cnc(N2CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3C(=O)N3CCOCC3)CC2)c(C)c1
InChIInChI=1S/C27H35N5O5S/c1-3-21-17-20(2)25(28-19-21)29-8-10-30(11-9-29)26(33)23-6-5-22(32-7-4-16-38(32,35)36)18-24(23)27(34)31-12-14-37-15-13-31/h5-6,17-19H,3-4,7-16H2,1-2H3
InChIKeySNLDUBKNEXDLFN-UHFFFAOYSA-N
MW541.67 g/mol
LogP1.93
Rot. Bonds5

About [4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-(morpholine-4-carbonyl)phenyl]-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazin-1-yl]methanone

[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-(morpholine-4-carbonyl)phenyl]-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 71252746) has the molecular formula C27H35N5O5S and a molecular weight of 541.67 g/mol. Its IUPAC name is [4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-(morpholine-4-carbonyl)phenyl]-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-(morpholine-4-carbonyl)phenyl]-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID71252746
Molecular FormulaC27H35N5O5S
Molecular Weight541.67 g/mol
Exact Mass541.24
IUPAC Name[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-(morpholine-4-carbonyl)phenyl]-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCCc1cnc(N2CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3C(=O)N3CCOCC3)CC2)c(C)c1
InChIInChI=1S/C27H35N5O5S/c1-3-21-17-20(2)25(28-19-21)29-8-10-30(11-9-29)26(33)23-6-5-22(32-7-4-16-38(32,35)36)18-24(23)27(34)31-12-14-37-15-13-31/h5-6,17-19H,3-4,7-16H2,1-2H3
InChIKeySNLDUBKNEXDLFN-UHFFFAOYSA-N
XLogP1.93
TPSA103.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.67
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-(morpholine-4-carbonyl)phenyl]-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-(pyrrolidine-1-carbonyl)phenyl]-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 71252388
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-(piperidine-1-carbonyl)phenyl]methanone
CID 71252425
(4R)-3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-ethyl-1,3-oxazolidin-2-one
CID 58484670
1-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 71252131
3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 58484633
(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 58484644
(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 58484526
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 71252205
2-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-(3-methyl-2-oxoimidazolidin-1-yl)benzonitrile
CID 71252040
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-morpholin-4-ylmethanone
CID 18105399
[4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]methanone
CID 71252235
[2,4-bis(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 71252559

Frequently Asked Questions

What is the IUPAC name of [4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-(morpholine-4-carbonyl)phenyl]-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-(morpholine-4-carbonyl)phenyl]-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazin-1-yl]methanone (CID 71252746) is [4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-(morpholine-4-carbonyl)phenyl]-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-(morpholine-4-carbonyl)phenyl]-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-(morpholine-4-carbonyl)phenyl]-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazin-1-yl]methanone is CCc1cnc(N2CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3C(=O)N3CCOCC3)CC2)c(C)c1.
What is the InChIKey of [4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-(morpholine-4-carbonyl)phenyl]-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is SNLDUBKNEXDLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O5S/c1-3-21-17-20(2)25(28-19-21)29-8-10-30(11-9-29)26(33)23-6-5-22(32-7-4-16-38(32,35)36)18-24(23)27(34)31-12-14-37-15-13-31/h5-6,17-19H,3-4,7-16H2,1-2H3.
What are the key properties of [4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-(morpholine-4-carbonyl)phenyl]-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazin-1-yl]methanone?
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-(morpholine-4-carbonyl)phenyl]-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 541.67 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-(morpholine-4-carbonyl)phenyl]-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71252746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).