2-[2-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole

C17H31N3S — CID 64939834

IUPAC2-[2-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
SMILESCCC1(CC)CN(CCc2nc(C)cs2)C(C(C)C)CN1
InChIInChI=1S/C17H31N3S/c1-6-17(7-2)12-20(15(10-18-17)13(3)4)9-8-16-19-14(5)11-21-16/h11,13,15,18H,6-10,12H2,1-5H3
InChIKeyOTCREVVKFWCHJF-UHFFFAOYSA-N
MW309.52 g/mol
LogP3.48
Rot. Bonds6

About 2-[2-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole

2-[2-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole (PubChem CID 64939834) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is 2-[2-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
PubChem CID64939834
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name2-[2-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
SMILESCCC1(CC)CN(CCc2nc(C)cs2)C(C(C)C)CN1
InChIInChI=1S/C17H31N3S/c1-6-17(7-2)12-20(15(10-18-17)13(3)4)9-8-16-19-14(5)11-21-16/h11,13,15,18H,6-10,12H2,1-5H3
InChIKeyOTCREVVKFWCHJF-UHFFFAOYSA-N
XLogP3.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64941574
4-methyl-2-[2-(8-propan-2-yl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole
CID 64940220
2-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64940221
4-methyl-2-[2-[5-(2-methylpropyl)-2-propan-2-ylpiperazin-1-yl]ethyl]-1,3-thiazole
CID 64939835
5,5-diethyl-1-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpiperazine
CID 64947762
4-[2-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043394
5,5-diethyl-1-octyl-2-propan-2-ylpiperazine
CID 64860045
5,5-diethyl-1-(2-methoxyethyl)-2-propan-2-ylpiperazine
CID 64860048
2-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64936843
5,5-diethyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine
CID 65097167
2-[(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376737
2-[2-(5-tert-butyl-2-ethylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64941766

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[2-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole (CID 64939834) is 2-[2-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[2-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[2-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole is CCC1(CC)CN(CCc2nc(C)cs2)C(C(C)C)CN1.
What is the InChIKey of 2-[2-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole?
The InChIKey is OTCREVVKFWCHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-6-17(7-2)12-20(15(10-18-17)13(3)4)9-8-16-19-14(5)11-21-16/h11,13,15,18H,6-10,12H2,1-5H3.
What are the key properties of 2-[2-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole?
2-[2-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole has a molecular weight of 309.52 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 64939834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).