4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine

C18H27N5OS — CID 46980245

IUPAC4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine
SMILESc1nc(N2CCOCC2)sc1-c1cncn1CCCN1CCCCC1
InChIInChI=1S/C18H27N5OS/c1-2-5-21(6-3-1)7-4-8-23-15-19-13-16(23)17-14-20-18(25-17)22-9-11-24-12-10-22/h13-15H,1-12H2
InChIKeyKRDMUMNQLPALFW-UHFFFAOYSA-N
MW361.52 g/mol
LogP2.72
Rot. Bonds6

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

4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine (PubChem CID 46980245) has the molecular formula C18H27N5OS and a molecular weight of 361.52 g/mol. Its IUPAC name is 4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine
PubChem CID46980245
Molecular FormulaC18H27N5OS
Molecular Weight361.52 g/mol
Exact Mass361.19
IUPAC Name4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine
SMILESc1nc(N2CCOCC2)sc1-c1cncn1CCCN1CCCCC1
InChIInChI=1S/C18H27N5OS/c1-2-5-21(6-3-1)7-4-8-23-15-19-13-16(23)17-14-20-18(25-17)22-9-11-24-12-10-22/h13-15H,1-12H2
InChIKeyKRDMUMNQLPALFW-UHFFFAOYSA-N
XLogP2.72
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine (CID 46980245) is 4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine is c1nc(N2CCOCC2)sc1-c1cncn1CCCN1CCCCC1.
What is the InChIKey of 4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine?
The InChIKey is KRDMUMNQLPALFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5OS/c1-2-5-21(6-3-1)7-4-8-23-15-19-13-16(23)17-14-20-18(25-17)22-9-11-24-12-10-22/h13-15H,1-12H2.
What are the key properties of 4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine?
4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine has a molecular weight of 361.52 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 46980245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).