1-morpholin-4-yl-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone

C18H24N4O2S2 — CID 30869084

IUPAC1-morpholin-4-yl-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(Cc2nc(-c3cccs3)cs2)CC1)N1CCOCC1
InChIInChI=1S/C18H24N4O2S2/c23-18(22-7-9-24-10-8-22)13-21-5-3-20(4-6-21)12-17-19-15(14-26-17)16-2-1-11-25-16/h1-2,11,14H,3-10,12-13H2
InChIKeyLGCUQOXCGFRNTQ-UHFFFAOYSA-N
MW392.55 g/mol
LogP1.85
Rot. Bonds5

About 1-morpholin-4-yl-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone

1-morpholin-4-yl-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 30869084) has the molecular formula C18H24N4O2S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone
PubChem CID30869084
Molecular FormulaC18H24N4O2S2
Molecular Weight392.55 g/mol
Exact Mass392.13
IUPAC Name1-morpholin-4-yl-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(Cc2nc(-c3cccs3)cs2)CC1)N1CCOCC1
InChIInChI=1S/C18H24N4O2S2/c23-18(22-7-9-24-10-8-22)13-21-5-3-20(4-6-21)12-17-19-15(14-26-17)16-2-1-11-25-16/h1-2,11,14H,3-10,12-13H2
InChIKeyLGCUQOXCGFRNTQ-UHFFFAOYSA-N
XLogP1.85
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone (CID 30869084) is 1-morpholin-4-yl-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone is O=C(CN1CCN(Cc2nc(-c3cccs3)cs2)CC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is LGCUQOXCGFRNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S2/c23-18(22-7-9-24-10-8-22)13-21-5-3-20(4-6-21)12-17-19-15(14-26-17)16-2-1-11-25-16/h1-2,11,14H,3-10,12-13H2.
What are the key properties of 1-morpholin-4-yl-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone?
1-morpholin-4-yl-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 392.55 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 30869084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).