5-[(2-ethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole

C17H23N3S — CID 64940036

IUPAC5-[(2-ethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
SMILESCCC1CNC(c2ccccc2)CN1Cc1scnc1C
InChIInChI=1S/C17H23N3S/c1-3-15-9-18-16(14-7-5-4-6-8-14)10-20(15)11-17-13(2)19-12-21-17/h4-8,12,15-16,18H,3,9-11H2,1-2H3
InChIKeyAXGLCNHVHJEHQV-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.38
Rot. Bonds4

About 5-[(2-ethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole

5-[(2-ethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole (PubChem CID 64940036) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 5-[(2-ethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(2-ethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
PubChem CID64940036
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name5-[(2-ethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
SMILESCCC1CNC(c2ccccc2)CN1Cc1scnc1C
InChIInChI=1S/C17H23N3S/c1-3-15-9-18-16(14-7-5-4-6-8-14)10-20(15)11-17-13(2)19-12-21-17/h4-8,12,15-16,18H,3,9-11H2,1-2H3
InChIKeyAXGLCNHVHJEHQV-UHFFFAOYSA-N
XLogP3.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(2-methylbutyl)-5-phenylpiperazine
CID 64877650
1-(cyclobutylmethyl)-2-ethyl-5-phenylpiperazine
CID 64933650
5-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole
CID 64940035
5-[(5,5-dimethyl-2-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 64941970
2-ethyl-1-(4-methylpentyl)-5-phenylpiperazine
CID 64939440
1-(2-cyclopentylethyl)-2-ethyl-5-phenylpiperazine
CID 64935708
5-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-4-methyl-1,3-thiazole
CID 66210037
5-[(2,5-dimethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 64940420
1-benzyl-2-butan-2-yl-5-phenylpiperazine
CID 64877463
1-(2,2-difluoroethyl)-5-phenyl-2-propylpiperazine
CID 64875923
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 120769012
5-phenyl-2-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine
CID 64876116

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[(2-ethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole (CID 64940036) is 5-[(2-ethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(2-ethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[(2-ethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole is CCC1CNC(c2ccccc2)CN1Cc1scnc1C.
What is the InChIKey of 5-[(2-ethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole?
The InChIKey is AXGLCNHVHJEHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-3-15-9-18-16(14-7-5-4-6-8-14)10-20(15)11-17-13(2)19-12-21-17/h4-8,12,15-16,18H,3,9-11H2,1-2H3.
What are the key properties of 5-[(2-ethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole?
5-[(2-ethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole has a molecular weight of 301.46 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 64940036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).