4-(1-phenylethyl)-2-piperazin-1-yl-1,3-thiazole

C15H19N3S — CID 3056219

IUPAC4-(1-phenylethyl)-2-piperazin-1-yl-1,3-thiazole
SMILESCC(c1ccccc1)c1csc(N2CCNCC2)n1
InChIInChI=1S/C15H19N3S/c1-12(13-5-3-2-4-6-13)14-11-19-15(17-14)18-9-7-16-8-10-18/h2-6,11-12,16H,7-10H2,1H3
InChIKeyRKVJZLIRRSQBLF-UHFFFAOYSA-N
MW273.41 g/mol
LogP2.70
Rot. Bonds3

About 4-(1-phenylethyl)-2-piperazin-1-yl-1,3-thiazole

4-(1-phenylethyl)-2-piperazin-1-yl-1,3-thiazole (PubChem CID 3056219) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is 4-(1-phenylethyl)-2-piperazin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(1-phenylethyl)-2-piperazin-1-yl-1,3-thiazole
PubChem CID3056219
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name4-(1-phenylethyl)-2-piperazin-1-yl-1,3-thiazole
SMILESCC(c1ccccc1)c1csc(N2CCNCC2)n1
InChIInChI=1S/C15H19N3S/c1-12(13-5-3-2-4-6-13)14-11-19-15(17-14)18-9-7-16-8-10-18/h2-6,11-12,16H,7-10H2,1H3
InChIKeyRKVJZLIRRSQBLF-UHFFFAOYSA-N
XLogP2.70
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylethyl)-2-piperazin-1-yl-1,3-thiazole?
The IUPAC name of 4-(1-phenylethyl)-2-piperazin-1-yl-1,3-thiazole (CID 3056219) is 4-(1-phenylethyl)-2-piperazin-1-yl-1,3-thiazole.
What is the SMILES notation for 4-(1-phenylethyl)-2-piperazin-1-yl-1,3-thiazole?
The canonical SMILES for 4-(1-phenylethyl)-2-piperazin-1-yl-1,3-thiazole is CC(c1ccccc1)c1csc(N2CCNCC2)n1.
What is the InChIKey of 4-(1-phenylethyl)-2-piperazin-1-yl-1,3-thiazole?
The InChIKey is RKVJZLIRRSQBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-12(13-5-3-2-4-6-13)14-11-19-15(17-14)18-9-7-16-8-10-18/h2-6,11-12,16H,7-10H2,1H3.
What are the key properties of 4-(1-phenylethyl)-2-piperazin-1-yl-1,3-thiazole?
4-(1-phenylethyl)-2-piperazin-1-yl-1,3-thiazole has a molecular weight of 273.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylethyl)-2-piperazin-1-yl-1,3-thiazole is sourced from PubChem (CID 3056219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).