morpholin-4-yl-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

C18H22N4O2S — CID 649570

IUPACmorpholin-4-yl-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(N1CCOCC1)N1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C18H22N4O2S/c23-18(22-10-12-24-13-11-22)21-8-6-20(7-9-21)17-19-16(14-25-17)15-4-2-1-3-5-15/h1-5,14H,6-13H2
InChIKeyLTSHTWANKOVEMQ-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.38
Rot. Bonds2

About morpholin-4-yl-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

morpholin-4-yl-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 649570) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is morpholin-4-yl-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID649570
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Namemorpholin-4-yl-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(N1CCOCC1)N1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C18H22N4O2S/c23-18(22-10-12-24-13-11-22)21-8-6-20(7-9-21)17-19-16(14-25-17)15-4-2-1-3-5-15/h1-5,14H,6-13H2
InChIKeyLTSHTWANKOVEMQ-UHFFFAOYSA-N
XLogP2.38
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of morpholin-4-yl-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 649570) is morpholin-4-yl-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for morpholin-4-yl-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is O=C(N1CCOCC1)N1CCN(c2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of morpholin-4-yl-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is LTSHTWANKOVEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c23-18(22-10-12-24-13-11-22)21-8-6-20(7-9-21)17-19-16(14-25-17)15-4-2-1-3-5-15/h1-5,14H,6-13H2.
What are the key properties of morpholin-4-yl-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
morpholin-4-yl-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 358.47 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 649570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).