4-[2-[[3-[3-(1,3-benzothiazol-6-yl)imidazolidin-1-yl]-4-pyridinyl]oxy]ethyl]morpholine

C21H25N5O2S — CID 142789579

IUPAC4-[2-[[3-[3-(1,3-benzothiazol-6-yl)imidazolidin-1-yl]-4-pyridinyl]oxy]ethyl]morpholine
SMILESc1cc(OCCN2CCOCC2)c(N2CCN(c3ccc4ncsc4c3)C2)cn1
InChIInChI=1S/C21H25N5O2S/c1-2-18-21(29-15-23-18)13-17(1)25-5-6-26(16-25)19-14-22-4-3-20(19)28-12-9-24-7-10-27-11-8-24/h1-4,13-15H,5-12,16H2
InChIKeySSKDGMLBAYAHKE-UHFFFAOYSA-N
MW411.53 g/mol
LogP2.69
Rot. Bonds6

About 4-[2-[[3-[3-(1,3-benzothiazol-6-yl)imidazolidin-1-yl]-4-pyridinyl]oxy]ethyl]morpholine

4-[2-[[3-[3-(1,3-benzothiazol-6-yl)imidazolidin-1-yl]-4-pyridinyl]oxy]ethyl]morpholine (PubChem CID 142789579) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 g/mol. Its IUPAC name is 4-[2-[[3-[3-(1,3-benzothiazol-6-yl)imidazolidin-1-yl]-4-pyridinyl]oxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[[3-[3-(1,3-benzothiazol-6-yl)imidazolidin-1-yl]-4-pyridinyl]oxy]ethyl]morpholine
PubChem CID142789579
Molecular FormulaC21H25N5O2S
Molecular Weight411.53 g/mol
Exact Mass411.17
IUPAC Name4-[2-[[3-[3-(1,3-benzothiazol-6-yl)imidazolidin-1-yl]-4-pyridinyl]oxy]ethyl]morpholine
SMILESc1cc(OCCN2CCOCC2)c(N2CCN(c3ccc4ncsc4c3)C2)cn1
InChIInChI=1S/C21H25N5O2S/c1-2-18-21(29-15-23-18)13-17(1)25-5-6-26(16-25)19-14-22-4-3-20(19)28-12-9-24-7-10-27-11-8-24/h1-4,13-15H,5-12,16H2
InChIKeySSKDGMLBAYAHKE-UHFFFAOYSA-N
XLogP2.69
TPSA53.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[2-[[3-[3-(1,3-benzothiazol-6-yl)imidazolidin-1-yl]-4-pyridinyl]oxy]ethyl]morpholine with MolForge

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Related Compounds

[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]methanamine
CID 142566545
4-[5-(1,3-benzothiazol-6-yl)-3-pyridinyl]morpholine
CID 91510472
1-(4-amino-3-pyridinyl)-3-(1,3-benzothiazol-6-yl)imidazolidin-2-one
CID 59636228
4-[2-[8-(thiophen-2-ylmethoxy)phenazin-2-yl]oxyethyl]morpholine
CID 155191722
4-[2-[[2-(3-methyl-4-pyridinyl)-3H-benzimidazol-5-yl]oxy]ethyl]morpholine
CID 153469808
4-[2-(4-piperazin-1-ylphenoxy)ethyl]morpholine
CID 43510321
4-(2-piperidin-1-ylethoxy)pyridin-3-amine
CID 61102870
N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 68650109
6-(1,3-benzothiazol-6-yl)-2-methyl-N-[1-[3-(3-morpholin-4-ylpropoxy)phenyl]ethyl]pyrimidin-4-amine
CID 70977358
N-[4-methyl-3-[4-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-phenylacetamide
CID 166921704
4-(2-imidazo[2,1-b][1,3]benzothiazol-6-yloxyethyl)morpholine
CID 141281186
N-(4-isoquinolin-5-yloxy-3-methylphenyl)-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine
CID 169223003

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[3-[3-(1,3-benzothiazol-6-yl)imidazolidin-1-yl]-4-pyridinyl]oxy]ethyl]morpholine?
The IUPAC name of 4-[2-[[3-[3-(1,3-benzothiazol-6-yl)imidazolidin-1-yl]-4-pyridinyl]oxy]ethyl]morpholine (CID 142789579) is 4-[2-[[3-[3-(1,3-benzothiazol-6-yl)imidazolidin-1-yl]-4-pyridinyl]oxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[[3-[3-(1,3-benzothiazol-6-yl)imidazolidin-1-yl]-4-pyridinyl]oxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[[3-[3-(1,3-benzothiazol-6-yl)imidazolidin-1-yl]-4-pyridinyl]oxy]ethyl]morpholine is c1cc(OCCN2CCOCC2)c(N2CCN(c3ccc4ncsc4c3)C2)cn1.
What is the InChIKey of 4-[2-[[3-[3-(1,3-benzothiazol-6-yl)imidazolidin-1-yl]-4-pyridinyl]oxy]ethyl]morpholine?
The InChIKey is SSKDGMLBAYAHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S/c1-2-18-21(29-15-23-18)13-17(1)25-5-6-26(16-25)19-14-22-4-3-20(19)28-12-9-24-7-10-27-11-8-24/h1-4,13-15H,5-12,16H2.
What are the key properties of 4-[2-[[3-[3-(1,3-benzothiazol-6-yl)imidazolidin-1-yl]-4-pyridinyl]oxy]ethyl]morpholine?
4-[2-[[3-[3-(1,3-benzothiazol-6-yl)imidazolidin-1-yl]-4-pyridinyl]oxy]ethyl]morpholine has a molecular weight of 411.53 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[3-[3-(1,3-benzothiazol-6-yl)imidazolidin-1-yl]-4-pyridinyl]oxy]ethyl]morpholine is sourced from PubChem (CID 142789579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).