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

C18H28N4O2S — CID 53158628

IUPACcyclopentyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCN(c2nc(CN3CCOCC3)cs2)CC1
InChIInChI=1S/C18H28N4O2S/c23-17(15-3-1-2-4-15)21-5-7-22(8-6-21)18-19-16(14-25-18)13-20-9-11-24-12-10-20/h14-15H,1-13H2
InChIKeyZROQSKDQNKIIBH-UHFFFAOYSA-N
MW364.52 g/mol
LogP1.81
Rot. Bonds4

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

cyclopentyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone (PubChem CID 53158628) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is cyclopentyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
PubChem CID53158628
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Namecyclopentyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCN(c2nc(CN3CCOCC3)cs2)CC1
InChIInChI=1S/C18H28N4O2S/c23-17(15-3-1-2-4-15)21-5-7-22(8-6-21)18-19-16(14-25-18)13-20-9-11-24-12-10-20/h14-15H,1-13H2
InChIKeyZROQSKDQNKIIBH-UHFFFAOYSA-N
XLogP1.81
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone (CID 53158628) is cyclopentyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone is O=C(C1CCCC1)N1CCN(c2nc(CN3CCOCC3)cs2)CC1.
What is the InChIKey of cyclopentyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The InChIKey is ZROQSKDQNKIIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2S/c23-17(15-3-1-2-4-15)21-5-7-22(8-6-21)18-19-16(14-25-18)13-20-9-11-24-12-10-20/h14-15H,1-13H2.
What are the key properties of cyclopentyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
cyclopentyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone has a molecular weight of 364.52 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 53158628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).