4-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]morpholine

C19H25N3OS — CID 45183014

IUPAC4-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]morpholine
SMILESc1ccc(-c2ncc(CN3CCCC(N4CCOCC4)C3)s2)cc1
InChIInChI=1S/C19H25N3OS/c1-2-5-16(6-3-1)19-20-13-18(24-19)15-21-8-4-7-17(14-21)22-9-11-23-12-10-22/h1-3,5-6,13,17H,4,7-12,14-15H2
InChIKeyPDKFXEFIGASWPP-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.11
Rot. Bonds4

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

4-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]morpholine (PubChem CID 45183014) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 4-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]morpholine
PubChem CID45183014
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name4-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]morpholine
SMILESc1ccc(-c2ncc(CN3CCCC(N4CCOCC4)C3)s2)cc1
InChIInChI=1S/C19H25N3OS/c1-2-5-16(6-3-1)19-20-13-18(24-19)15-21-8-4-7-17(14-21)22-9-11-23-12-10-22/h1-3,5-6,13,17H,4,7-12,14-15H2
InChIKeyPDKFXEFIGASWPP-UHFFFAOYSA-N
XLogP3.11
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]morpholine?
The IUPAC name of 4-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]morpholine (CID 45183014) is 4-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]morpholine is c1ccc(-c2ncc(CN3CCCC(N4CCOCC4)C3)s2)cc1.
What is the InChIKey of 4-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]morpholine?
The InChIKey is PDKFXEFIGASWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-2-5-16(6-3-1)19-20-13-18(24-19)15-21-8-4-7-17(14-21)22-9-11-23-12-10-22/h1-3,5-6,13,17H,4,7-12,14-15H2.
What are the key properties of 4-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]morpholine?
4-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]morpholine has a molecular weight of 343.50 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]morpholine is sourced from PubChem (CID 45183014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).