5-[(2-butan-2-yl-5,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole

C16H29N3S — CID 115979603

IUPAC5-[(2-butan-2-yl-5,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCC(C)C1CNC(CC)(CC)CN1Cc1cncs1
InChIInChI=1S/C16H29N3S/c1-5-13(4)15-9-18-16(6-2,7-3)11-19(15)10-14-8-17-12-20-14/h8,12-13,15,18H,5-7,9-11H2,1-4H3
InChIKeyBAJGQGJQKZWILC-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.52
Rot. Bonds6

About 5-[(2-butan-2-yl-5,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole

5-[(2-butan-2-yl-5,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 115979603) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 5-[(2-butan-2-yl-5,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(2-butan-2-yl-5,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID115979603
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name5-[(2-butan-2-yl-5,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCC(C)C1CNC(CC)(CC)CN1Cc1cncs1
InChIInChI=1S/C16H29N3S/c1-5-13(4)15-9-18-16(6-2,7-3)11-19(15)10-14-8-17-12-20-14/h8,12-13,15,18H,5-7,9-11H2,1-4H3
InChIKeyBAJGQGJQKZWILC-UHFFFAOYSA-N
XLogP3.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644864
5-[(5-butan-2-yl-2-cyclopropylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644908
2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine
CID 64861206
2-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-5,5-diethylpiperazine
CID 107901805
5-[(5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644827
2-[(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376737
2-butan-2-yl-5,5-diethyl-1-(3-methylbut-2-enyl)piperazine
CID 107901804
5-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644843
2-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-5,5-dimethylpiperazine
CID 64838162
2-butan-2-yl-5,5-diethyl-1-(4,4,4-trifluorobutyl)piperazine
CID 115519095
6-butan-2-yl-3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 115979661
5,5-diethyl-1-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpiperazine
CID 64947762

Frequently Asked Questions

What is the IUPAC name of 5-[(2-butan-2-yl-5,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-[(2-butan-2-yl-5,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole (CID 115979603) is 5-[(2-butan-2-yl-5,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(2-butan-2-yl-5,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(2-butan-2-yl-5,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole is CCC(C)C1CNC(CC)(CC)CN1Cc1cncs1.
What is the InChIKey of 5-[(2-butan-2-yl-5,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is BAJGQGJQKZWILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-5-13(4)15-9-18-16(6-2,7-3)11-19(15)10-14-8-17-12-20-14/h8,12-13,15,18H,5-7,9-11H2,1-4H3.
What are the key properties of 5-[(2-butan-2-yl-5,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole?
5-[(2-butan-2-yl-5,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 295.50 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-butan-2-yl-5,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 115979603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).