4-[5-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine

C17H25N5O2S — CID 46980248

IUPAC4-[5-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine
SMILESCC(CN1CCOCC1)n1cncc1-c1cnc(N2CCOCC2)s1
InChIInChI=1S/C17H25N5O2S/c1-14(12-20-2-6-23-7-3-20)22-13-18-10-15(22)16-11-19-17(25-16)21-4-8-24-9-5-21/h10-11,13-14H,2-9,12H2,1H3
InChIKeyICXSSSBRIIIVIU-UHFFFAOYSA-N
MW363.49 g/mol
LogP1.74
Rot. Bonds5

About 4-[5-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine

4-[5-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine (PubChem CID 46980248) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is 4-[5-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine
PubChem CID46980248
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC Name4-[5-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine
SMILESCC(CN1CCOCC1)n1cncc1-c1cnc(N2CCOCC2)s1
InChIInChI=1S/C17H25N5O2S/c1-14(12-20-2-6-23-7-3-20)22-13-18-10-15(22)16-11-19-17(25-16)21-4-8-24-9-5-21/h10-11,13-14H,2-9,12H2,1H3
InChIKeyICXSSSBRIIIVIU-UHFFFAOYSA-N
XLogP1.74
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[5-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine (CID 46980248) is 4-[5-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine is CC(CN1CCOCC1)n1cncc1-c1cnc(N2CCOCC2)s1.
What is the InChIKey of 4-[5-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine?
The InChIKey is ICXSSSBRIIIVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-14(12-20-2-6-23-7-3-20)22-13-18-10-15(22)16-11-19-17(25-16)21-4-8-24-9-5-21/h10-11,13-14H,2-9,12H2,1H3.
What are the key properties of 4-[5-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine?
4-[5-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine has a molecular weight of 363.49 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 46980248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).