1-[2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine

C16H29N3S — CID 63161333

IUPAC1-[2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1cnc(N2CCC(CC)(CC)CC2)s1
InChIInChI=1S/C16H29N3S/c1-5-16(6-2)8-10-19(11-9-16)15-18-12-14(20-15)13(4)17-7-3/h12-13,17H,5-11H2,1-4H3
InChIKeyVZCHAASRKUHLSF-UHFFFAOYSA-N
MW295.50 g/mol
LogP4.22
Rot. Bonds6

About 1-[2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine

1-[2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine (PubChem CID 63161333) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 1-[2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
PubChem CID63161333
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name1-[2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1cnc(N2CCC(CC)(CC)CC2)s1
InChIInChI=1S/C16H29N3S/c1-5-16(6-2)8-10-19(11-9-16)15-18-12-14(20-15)13(4)17-7-3/h12-13,17H,5-11H2,1-4H3
InChIKeyVZCHAASRKUHLSF-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 62967962
1-[2-(4-tert-butylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62753720
N-ethyl-1-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 114540452
N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanamine
CID 62752084
4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1-methylpiperazin-2-one
CID 64695613
N-[1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62776879
N-[1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62753967
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 62751813
1-[2-(2,3-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62754748
N-[1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 79164736
N-[1-[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62751961
N-ethyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 114597274

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine?
The IUPAC name of 1-[2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine (CID 63161333) is 1-[2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine is CCNC(C)c1cnc(N2CCC(CC)(CC)CC2)s1.
What is the InChIKey of 1-[2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine?
The InChIKey is VZCHAASRKUHLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-5-16(6-2)8-10-19(11-9-16)15-18-12-14(20-15)13(4)17-7-3/h12-13,17H,5-11H2,1-4H3.
What are the key properties of 1-[2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine?
1-[2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine has a molecular weight of 295.50 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 63161333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).