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

C15H19N3S — CID 112644804

IUPAC5-[(3-methyl-3-phenylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCC1(c2ccccc2)CN(Cc2cncs2)CCN1
InChIInChI=1S/C15H19N3S/c1-15(13-5-3-2-4-6-13)11-18(8-7-17-15)10-14-9-16-12-19-14/h2-6,9,12,17H,7-8,10-11H2,1H3
InChIKeyJFZLHYUMHKZIOV-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.46
Rot. Bonds3

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

5-[(3-methyl-3-phenylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 112644804) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 5-[(3-methyl-3-phenylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(3-methyl-3-phenylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID112644804
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name5-[(3-methyl-3-phenylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCC1(c2ccccc2)CN(Cc2cncs2)CCN1
InChIInChI=1S/C15H19N3S/c1-15(13-5-3-2-4-6-13)11-18(8-7-17-15)10-14-9-16-12-19-14/h2-6,9,12,17H,7-8,10-11H2,1H3
InChIKeyJFZLHYUMHKZIOV-UHFFFAOYSA-N
XLogP2.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-3-phenylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-[(3-methyl-3-phenylpiperazin-1-yl)methyl]-1,3-thiazole (CID 112644804) is 5-[(3-methyl-3-phenylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(3-methyl-3-phenylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(3-methyl-3-phenylpiperazin-1-yl)methyl]-1,3-thiazole is CC1(c2ccccc2)CN(Cc2cncs2)CCN1.
What is the InChIKey of 5-[(3-methyl-3-phenylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is JFZLHYUMHKZIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-15(13-5-3-2-4-6-13)11-18(8-7-17-15)10-14-9-16-12-19-14/h2-6,9,12,17H,7-8,10-11H2,1H3.
What are the key properties of 5-[(3-methyl-3-phenylpiperazin-1-yl)methyl]-1,3-thiazole?
5-[(3-methyl-3-phenylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 273.40 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-3-phenylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 112644804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).