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

C18H24N4OS — CID 1489279

IUPAC4-[5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine
SMILESc1ccc(N2CCN(Cc3cnc(N4CCOCC4)s3)CC2)cc1
InChIInChI=1S/C18H24N4OS/c1-2-4-16(5-3-1)21-8-6-20(7-9-21)15-17-14-19-18(24-17)22-10-12-23-13-11-22/h1-5,14H,6-13,15H2
InChIKeyGASUZZGMDXMSFJ-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.30
Rot. Bonds4

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

4-[5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine (PubChem CID 1489279) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-[5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine
PubChem CID1489279
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name4-[5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine
SMILESc1ccc(N2CCN(Cc3cnc(N4CCOCC4)s3)CC2)cc1
InChIInChI=1S/C18H24N4OS/c1-2-4-16(5-3-1)21-8-6-20(7-9-21)15-17-14-19-18(24-17)22-10-12-23-13-11-22/h1-5,14H,6-13,15H2
InChIKeyGASUZZGMDXMSFJ-UHFFFAOYSA-N
XLogP2.30
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine (CID 1489279) is 4-[5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine is c1ccc(N2CCN(Cc3cnc(N4CCOCC4)s3)CC2)cc1.
What is the InChIKey of 4-[5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine?
The InChIKey is GASUZZGMDXMSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-2-4-16(5-3-1)21-8-6-20(7-9-21)15-17-14-19-18(24-17)22-10-12-23-13-11-22/h1-5,14H,6-13,15H2.
What are the key properties of 4-[5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine?
4-[5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine has a molecular weight of 344.48 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 1489279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).