2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole

C16H29N3S — CID 64936499

IUPAC2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESCCC(C)C1CN(C(C)c2nccs2)C(C(C)C)CN1
InChIInChI=1S/C16H29N3S/c1-6-12(4)14-10-19(15(9-18-14)11(2)3)13(5)16-17-7-8-20-16/h7-8,11-15,18H,6,9-10H2,1-5H3
InChIKeyUKFKDBUGIFUAAJ-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.55
Rot. Bonds5

About 2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole

2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole (PubChem CID 64936499) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole
PubChem CID64936499
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESCCC(C)C1CN(C(C)c2nccs2)C(C(C)C)CN1
InChIInChI=1S/C16H29N3S/c1-6-12(4)14-10-19(15(9-18-14)11(2)3)13(5)16-17-7-8-20-16/h7-8,11-15,18H,6,9-10H2,1-5H3
InChIKeyUKFKDBUGIFUAAJ-UHFFFAOYSA-N
XLogP3.55
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-butan-2-yl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64936501
2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole
CID 106389954
2-[1-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]propyl]-1,3-thiazole
CID 64940312
5-butan-2-yl-2-methyl-1-(1-pyridin-4-ylethyl)piperazine
CID 64939246
2-[1-(2-propan-2-ylpiperazin-1-yl)propyl]-1,3-thiazole
CID 64932330
5-butan-2-yl-1-(1-cyclopropylethyl)-2-propan-2-ylpiperazine
CID 64939021
5-butan-2-yl-1-pent-1-yn-3-yl-2-propan-2-ylpiperazine
CID 106224498
2-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64939349
2-[1-(2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64932333
2-[1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-1,3-thiazole
CID 66211376
5-butan-2-yl-2-methyl-1-(5-methylhexan-2-yl)piperazine
CID 64938208
1-[(3-bromothiophen-2-yl)methyl]-2,5-di(butan-2-yl)piperazine
CID 64848042

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole (CID 64936499) is 2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole is CCC(C)C1CN(C(C)c2nccs2)C(C(C)C)CN1.
What is the InChIKey of 2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole?
The InChIKey is UKFKDBUGIFUAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-6-12(4)14-10-19(15(9-18-14)11(2)3)13(5)16-17-7-8-20-16/h7-8,11-15,18H,6,9-10H2,1-5H3.
What are the key properties of 2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole?
2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole has a molecular weight of 295.50 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 64936499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).