1-[4-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone

C18H26N6O3S — CID 5309291

IUPAC1-[4-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
SMILESCC(=O)N1CSCC1C(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C18H26N6O3S/c1-14(25)24-13-28-12-15(24)18(26)23-6-4-21(5-7-23)16-2-3-17(20-19-16)22-8-10-27-11-9-22/h2-3,15H,4-13H2,1H3
InChIKeyWUPHFGMBWFPNLC-UHFFFAOYSA-N
MW406.51 g/mol
LogP-0.12
Rot. Bonds3

About 1-[4-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone

1-[4-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone (PubChem CID 5309291) has the molecular formula C18H26N6O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 1-[4-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
PubChem CID5309291
Molecular FormulaC18H26N6O3S
Molecular Weight406.51 g/mol
Exact Mass406.18
IUPAC Name1-[4-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
SMILESCC(=O)N1CSCC1C(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C18H26N6O3S/c1-14(25)24-13-28-12-15(24)18(26)23-6-4-21(5-7-23)16-2-3-17(20-19-16)22-8-10-27-11-9-22/h2-3,15H,4-13H2,1H3
InChIKeyWUPHFGMBWFPNLC-UHFFFAOYSA-N
XLogP-0.12
TPSA82.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 1-[4-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone (CID 5309291) is 1-[4-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 1-[4-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone is CC(=O)N1CSCC1C(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1.
What is the InChIKey of 1-[4-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is WUPHFGMBWFPNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3S/c1-14(25)24-13-28-12-15(24)18(26)23-6-4-21(5-7-23)16-2-3-17(20-19-16)22-8-10-27-11-9-22/h2-3,15H,4-13H2,1H3.
What are the key properties of 1-[4-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone?
1-[4-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 406.51 g/mol, XLogP of -0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 5309291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).