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

C17H23N3S — CID 64940420

IUPAC5-[(2,5-dimethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CC(C)(c2ccccc2)NCC1C
InChIInChI=1S/C17H23N3S/c1-13-9-19-17(3,15-7-5-4-6-8-15)11-20(13)10-16-14(2)18-12-21-16/h4-8,12-13,19H,9-11H2,1-3H3
InChIKeyBDVWIADWSGZZCJ-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.16
Rot. Bonds3

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

5-[(2,5-dimethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole (PubChem CID 64940420) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 5-[(2,5-dimethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(2,5-dimethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
PubChem CID64940420
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name5-[(2,5-dimethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CC(C)(c2ccccc2)NCC1C
InChIInChI=1S/C17H23N3S/c1-13-9-19-17(3,15-7-5-4-6-8-15)11-20(13)10-16-14(2)18-12-21-16/h4-8,12-13,19H,9-11H2,1-3H3
InChIKeyBDVWIADWSGZZCJ-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5,5-dimethyl-2-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 64941970
2,5-dimethyl-5-phenyl-1-(thiophen-3-ylmethyl)piperazine
CID 64862285
1-(2,2-dimethylpropyl)-2,5-dimethyl-5-phenylpiperazine
CID 64935365
1-(2-methoxyethyl)-2,5-dimethyl-5-phenylpiperazine
CID 64861931
1-benzyl-3,7-dimethyl-3-phenyl-1,4-diazepane
CID 64870439
3,7-dimethyl-3-phenyl-1-(thiophen-2-ylmethyl)-1,4-diazepane
CID 64870631
5-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole
CID 64940035
1-hexan-3-yl-2,5-dimethyl-5-phenylpiperazine
CID 64947170
5-[(2-ethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 64940036
1-benzyl-5,5-diethyl-2-methylpiperazine
CID 64862341
1-ethyl-5-methyl-5-phenyl-2-propylpiperazine
CID 64862477
4-methyl-5-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,3-thiazole
CID 66213409

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[(2,5-dimethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole (CID 64940420) is 5-[(2,5-dimethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(2,5-dimethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[(2,5-dimethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole is Cc1ncsc1CN1CC(C)(c2ccccc2)NCC1C.
What is the InChIKey of 5-[(2,5-dimethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole?
The InChIKey is BDVWIADWSGZZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-13-9-19-17(3,15-7-5-4-6-8-15)11-20(13)10-16-14(2)18-12-21-16/h4-8,12-13,19H,9-11H2,1-3H3.
What are the key properties of 5-[(2,5-dimethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole?
5-[(2,5-dimethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole has a molecular weight of 301.46 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 64940420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).