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

C19H26N4OS — CID 56710534

IUPAC4-[5-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine
SMILESCC1CN(c2ccccc2)CCN1Cc1cnc(N2CCOCC2)s1
InChIInChI=1S/C19H26N4OS/c1-16-14-23(17-5-3-2-4-6-17)8-7-22(16)15-18-13-20-19(25-18)21-9-11-24-12-10-21/h2-6,13,16H,7-12,14-15H2,1H3
InChIKeyZVZXQHMRGMUGLZ-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.69
Rot. Bonds4

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

4-[5-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine (PubChem CID 56710534) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 4-[5-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine
PubChem CID56710534
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name4-[5-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine
SMILESCC1CN(c2ccccc2)CCN1Cc1cnc(N2CCOCC2)s1
InChIInChI=1S/C19H26N4OS/c1-16-14-23(17-5-3-2-4-6-17)8-7-22(16)15-18-13-20-19(25-18)21-9-11-24-12-10-21/h2-6,13,16H,7-12,14-15H2,1H3
InChIKeyZVZXQHMRGMUGLZ-UHFFFAOYSA-N
XLogP2.69
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[5-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine (CID 56710534) is 4-[5-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine is CC1CN(c2ccccc2)CCN1Cc1cnc(N2CCOCC2)s1.
What is the InChIKey of 4-[5-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine?
The InChIKey is ZVZXQHMRGMUGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-16-14-23(17-5-3-2-4-6-17)8-7-22(16)15-18-13-20-19(25-18)21-9-11-24-12-10-21/h2-6,13,16H,7-12,14-15H2,1H3.
What are the key properties of 4-[5-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine?
4-[5-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine has a molecular weight of 358.51 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 56710534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).