1-(1-morpholin-4-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanone

C14H20N2O2S — CID 79825005

IUPAC1-(1-morpholin-4-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nccs1)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C14H20N2O2S/c17-12(11-13-15-5-10-19-13)14(3-1-2-4-14)16-6-8-18-9-7-16/h5,10H,1-4,6-9,11H2
InChIKeyCRMZUQNQMYOBPU-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.90
Rot. Bonds4

About 1-(1-morpholin-4-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanone

1-(1-morpholin-4-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 79825005) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(1-morpholin-4-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-morpholin-4-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanone
PubChem CID79825005
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name1-(1-morpholin-4-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nccs1)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C14H20N2O2S/c17-12(11-13-15-5-10-19-13)14(3-1-2-4-14)16-6-8-18-9-7-16/h5,10H,1-4,6-9,11H2
InChIKeyCRMZUQNQMYOBPU-UHFFFAOYSA-N
XLogP1.90
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-morpholin-4-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(1-morpholin-4-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanone (CID 79825005) is 1-(1-morpholin-4-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(1-morpholin-4-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(1-morpholin-4-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanone is O=C(Cc1nccs1)C1(N2CCOCC2)CCCC1.
What is the InChIKey of 1-(1-morpholin-4-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is CRMZUQNQMYOBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-12(11-13-15-5-10-19-13)14(3-1-2-4-14)16-6-8-18-9-7-16/h5,10H,1-4,6-9,11H2.
What are the key properties of 1-(1-morpholin-4-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanone?
1-(1-morpholin-4-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 280.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-morpholin-4-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 79825005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).