2-(2-piperidin-1-ylethenyl)-1,3-benzothiazole

C14H16N2S — CID 154110849

IUPAC2-(2-piperidin-1-ylethenyl)-1,3-benzothiazole
SMILESC(=CN1CCCCC1)c1nc2ccccc2s1
InChIInChI=1S/C14H16N2S/c1-4-9-16(10-5-1)11-8-14-15-12-6-2-3-7-13(12)17-14/h2-3,6-8,11H,1,4-5,9-10H2
InChIKeyAJXBSEOMJGIQCO-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.75
Rot. Bonds2

About 2-(2-piperidin-1-ylethenyl)-1,3-benzothiazole

2-(2-piperidin-1-ylethenyl)-1,3-benzothiazole (PubChem CID 154110849) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylethenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-piperidin-1-ylethenyl)-1,3-benzothiazole
PubChem CID154110849
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name2-(2-piperidin-1-ylethenyl)-1,3-benzothiazole
SMILESC(=CN1CCCCC1)c1nc2ccccc2s1
InChIInChI=1S/C14H16N2S/c1-4-9-16(10-5-1)11-8-14-15-12-6-2-3-7-13(12)17-14/h2-3,6-8,11H,1,4-5,9-10H2
InChIKeyAJXBSEOMJGIQCO-UHFFFAOYSA-N
XLogP3.75
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 76857549
(3S)-1-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]piperidine-3-carboxamide
CID 9119006
[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
CID 8527396
N-[3-(azepan-1-yl)propyl]-3-(1,3-benzothiazol-2-yl)prop-2-enamide
CID 76858411
(E)-3-(1,3-benzothiazol-2-yl)-1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 2453598
2-[(E)-2-methoxyethenyl]-1,3-benzothiazole
CID 90475649
2-[(1E)-buta-1,3-dienyl]-1,3-benzothiazole
CID 21425799
(E)-3-(1,3-benzothiazol-2-yl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one
CID 9389766
2-[2-(1,3-benzothiazol-2-yl)ethenyl]-5-pyrrolidin-1-ylbenzenesulfonic acid
CID 168514715
(E)-3-(1,3-benzothiazol-2-yl)-N-cyclohexylprop-2-enamide
CID 7732680
1-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]pyrrolidine-2-carboxylic acid
CID 20618441
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
CID 7905084

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-ylethenyl)-1,3-benzothiazole?
The IUPAC name of 2-(2-piperidin-1-ylethenyl)-1,3-benzothiazole (CID 154110849) is 2-(2-piperidin-1-ylethenyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(2-piperidin-1-ylethenyl)-1,3-benzothiazole?
The canonical SMILES for 2-(2-piperidin-1-ylethenyl)-1,3-benzothiazole is C(=CN1CCCCC1)c1nc2ccccc2s1.
What is the InChIKey of 2-(2-piperidin-1-ylethenyl)-1,3-benzothiazole?
The InChIKey is AJXBSEOMJGIQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-4-9-16(10-5-1)11-8-14-15-12-6-2-3-7-13(12)17-14/h2-3,6-8,11H,1,4-5,9-10H2.
What are the key properties of 2-(2-piperidin-1-ylethenyl)-1,3-benzothiazole?
2-(2-piperidin-1-ylethenyl)-1,3-benzothiazole has a molecular weight of 244.36 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-ylethenyl)-1,3-benzothiazole is sourced from PubChem (CID 154110849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).