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

C17H23N3S — CID 64941970

IUPAC5-[(5,5-dimethyl-2-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CC(C)(C)NCC1c1ccccc1
InChIInChI=1S/C17H23N3S/c1-13-16(21-12-18-13)10-20-11-17(2,3)19-9-15(20)14-7-5-4-6-8-14/h4-8,12,15,19H,9-11H2,1-3H3
InChIKeyIPWUCIYOUODKMV-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.38
Rot. Bonds3

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

5-[(5,5-dimethyl-2-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole (PubChem CID 64941970) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 5-[(5,5-dimethyl-2-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(5,5-dimethyl-2-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
PubChem CID64941970
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name5-[(5,5-dimethyl-2-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CC(C)(C)NCC1c1ccccc1
InChIInChI=1S/C17H23N3S/c1-13-16(21-12-18-13)10-20-11-17(2,3)19-9-15(20)14-7-5-4-6-8-14/h4-8,12,15,19H,9-11H2,1-3H3
InChIKeyIPWUCIYOUODKMV-UHFFFAOYSA-N
XLogP3.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

1-[(3-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-phenylpiperazine
CID 64839742
5,5-dimethyl-2-phenyl-1-(thiophen-2-ylmethyl)piperazine
CID 64840285
5-[(2,5-dimethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 64940420
5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2-phenylpiperazine
CID 64840112
5-[(2-ethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 64940036
5,5-dimethyl-2-phenyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 82250165
1-(cyclohexylmethyl)-5,5-dimethyl-2-phenylpiperazine
CID 64840282
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 120769012
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;hydrochloride
CID 120769011
1-(2-butoxyethyl)-5,5-dimethyl-2-phenylpiperazine
CID 64839744
4-methyl-5-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole
CID 97113099
5,5-dimethyl-1-(oxan-2-ylmethyl)-2-phenylpiperazine
CID 64840106

Frequently Asked Questions

What is the IUPAC name of 5-[(5,5-dimethyl-2-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[(5,5-dimethyl-2-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole (CID 64941970) is 5-[(5,5-dimethyl-2-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(5,5-dimethyl-2-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[(5,5-dimethyl-2-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole is Cc1ncsc1CN1CC(C)(C)NCC1c1ccccc1.
What is the InChIKey of 5-[(5,5-dimethyl-2-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole?
The InChIKey is IPWUCIYOUODKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-13-16(21-12-18-13)10-20-11-17(2,3)19-9-15(20)14-7-5-4-6-8-14/h4-8,12,15,19H,9-11H2,1-3H3.
What are the key properties of 5-[(5,5-dimethyl-2-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole?
5-[(5,5-dimethyl-2-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole has a molecular weight of 301.46 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5,5-dimethyl-2-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 64941970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).