2-[2-(4-ethylpiperidin-1-yl)ethyl]-1,3-benzothiazole

C16H22N2S — CID 22989637

IUPAC2-[2-(4-ethylpiperidin-1-yl)ethyl]-1,3-benzothiazole
SMILESCCC1CCN(CCc2nc3ccccc3s2)CC1
InChIInChI=1S/C16H22N2S/c1-2-13-7-10-18(11-8-13)12-9-16-17-14-5-3-4-6-15(14)19-16/h3-6,13H,2,7-12H2,1H3
InChIKeyLVMIIHQIIDWZMD-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.96
Rot. Bonds4

About 2-[2-(4-ethylpiperidin-1-yl)ethyl]-1,3-benzothiazole

2-[2-(4-ethylpiperidin-1-yl)ethyl]-1,3-benzothiazole (PubChem CID 22989637) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-[2-(4-ethylpiperidin-1-yl)ethyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[2-(4-ethylpiperidin-1-yl)ethyl]-1,3-benzothiazole
PubChem CID22989637
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name2-[2-(4-ethylpiperidin-1-yl)ethyl]-1,3-benzothiazole
SMILESCCC1CCN(CCc2nc3ccccc3s2)CC1
InChIInChI=1S/C16H22N2S/c1-2-13-7-10-18(11-8-13)12-9-16-17-14-5-3-4-6-15(14)19-16/h3-6,13H,2,7-12H2,1H3
InChIKeyLVMIIHQIIDWZMD-UHFFFAOYSA-N
XLogP3.96
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-piperazin-1-ylpropyl)-1,3-benzothiazole
CID 116999900
1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 63249392
N-(1,3-benzothiazol-2-ylmethyl)-1-ethylpiperidin-4-amine
CID 28665108
2-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N-methylcyclohexan-1-amine
CID 104631488
N-(1,3-benzothiazol-2-ylmethyl)-4-ethylcycloheptan-1-amine
CID 65082467
(2R)-1-[4-[(1,3-benzothiazol-2-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 95606777
3-(1,3-benzothiazol-2-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 60958041
1-(1,3-benzothiazol-2-ylmethyl)-4-ethylcyclohexane-1-carboxylic acid
CID 104632347
2-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)ethanamine
CID 43654900
2-[[3-(bromomethyl)piperidin-1-yl]methyl]-1,3-benzothiazole
CID 104632056
2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-1,3-benzothiazole
CID 114682379
5-(1,3-benzothiazol-2-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]pentan-1-one
CID 119644362

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylpiperidin-1-yl)ethyl]-1,3-benzothiazole?
The IUPAC name of 2-[2-(4-ethylpiperidin-1-yl)ethyl]-1,3-benzothiazole (CID 22989637) is 2-[2-(4-ethylpiperidin-1-yl)ethyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[2-(4-ethylpiperidin-1-yl)ethyl]-1,3-benzothiazole?
The canonical SMILES for 2-[2-(4-ethylpiperidin-1-yl)ethyl]-1,3-benzothiazole is CCC1CCN(CCc2nc3ccccc3s2)CC1.
What is the InChIKey of 2-[2-(4-ethylpiperidin-1-yl)ethyl]-1,3-benzothiazole?
The InChIKey is LVMIIHQIIDWZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-2-13-7-10-18(11-8-13)12-9-16-17-14-5-3-4-6-15(14)19-16/h3-6,13H,2,7-12H2,1H3.
What are the key properties of 2-[2-(4-ethylpiperidin-1-yl)ethyl]-1,3-benzothiazole?
2-[2-(4-ethylpiperidin-1-yl)ethyl]-1,3-benzothiazole has a molecular weight of 274.43 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylpiperidin-1-yl)ethyl]-1,3-benzothiazole is sourced from PubChem (CID 22989637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).