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

C17H23N3S — CID 64941668

IUPAC2-[1-(2-methyl-5-phenylpiperazin-1-yl)propyl]-1,3-thiazole
SMILESCCC(c1nccs1)N1CC(c2ccccc2)NCC1C
InChIInChI=1S/C17H23N3S/c1-3-16(17-18-9-10-21-17)20-12-15(19-11-13(20)2)14-7-5-4-6-8-14/h4-10,13,15-16,19H,3,11-12H2,1-2H3
InChIKeyJBBIVAKTXBMFIA-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.63
Rot. Bonds4

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

2-[1-(2-methyl-5-phenylpiperazin-1-yl)propyl]-1,3-thiazole (PubChem CID 64941668) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 2-[1-(2-methyl-5-phenylpiperazin-1-yl)propyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(2-methyl-5-phenylpiperazin-1-yl)propyl]-1,3-thiazole
PubChem CID64941668
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name2-[1-(2-methyl-5-phenylpiperazin-1-yl)propyl]-1,3-thiazole
SMILESCCC(c1nccs1)N1CC(c2ccccc2)NCC1C
InChIInChI=1S/C17H23N3S/c1-3-16(17-18-9-10-21-17)20-12-15(19-11-13(20)2)14-7-5-4-6-8-14/h4-10,13,15-16,19H,3,11-12H2,1-2H3
InChIKeyJBBIVAKTXBMFIA-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)propyl]-1,3-thiazole
CID 64942052
1-heptan-2-yl-2-methyl-5-phenylpiperazine
CID 64935927
2-[1-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,3-thiazole
CID 64949839
2-[1-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propyl]-1,3-thiazole
CID 64940312
(2S,5S)-1,2-dimethyl-5-phenylpiperazine
CID 96624962
2-methyl-1-(2-methylpentyl)-5-phenylpiperazine
CID 64875917
2-[1-(2-phenylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64932331
2-[1-(2-propan-2-ylpiperazin-1-yl)propyl]-1,3-thiazole
CID 64932330
2-methyl-1-(3-methyl-2-propan-2-ylbutyl)-5-phenylpiperazine
CID 102908543
2-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64939349
2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-phenylpiperazine
CID 64876301
(2R,5S)-1-cyclopropyl-2-methyl-5-phenylpiperazine
CID 169115914

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methyl-5-phenylpiperazin-1-yl)propyl]-1,3-thiazole?
The IUPAC name of 2-[1-(2-methyl-5-phenylpiperazin-1-yl)propyl]-1,3-thiazole (CID 64941668) is 2-[1-(2-methyl-5-phenylpiperazin-1-yl)propyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(2-methyl-5-phenylpiperazin-1-yl)propyl]-1,3-thiazole?
The canonical SMILES for 2-[1-(2-methyl-5-phenylpiperazin-1-yl)propyl]-1,3-thiazole is CCC(c1nccs1)N1CC(c2ccccc2)NCC1C.
What is the InChIKey of 2-[1-(2-methyl-5-phenylpiperazin-1-yl)propyl]-1,3-thiazole?
The InChIKey is JBBIVAKTXBMFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-3-16(17-18-9-10-21-17)20-12-15(19-11-13(20)2)14-7-5-4-6-8-14/h4-10,13,15-16,19H,3,11-12H2,1-2H3.
What are the key properties of 2-[1-(2-methyl-5-phenylpiperazin-1-yl)propyl]-1,3-thiazole?
2-[1-(2-methyl-5-phenylpiperazin-1-yl)propyl]-1,3-thiazole has a molecular weight of 301.46 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methyl-5-phenylpiperazin-1-yl)propyl]-1,3-thiazole is sourced from PubChem (CID 64941668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).