2-(1,3-benzothiazol-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone

C16H20N2OS — CID 116568641

IUPAC2-(1,3-benzothiazol-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone
SMILESCCC1(C(=O)Cc2nc3ccccc3s2)CCCNC1
InChIInChI=1S/C16H20N2OS/c1-2-16(8-5-9-17-11-16)14(19)10-15-18-12-6-3-4-7-13(12)20-15/h3-4,6-7,17H,2,5,8-11H2,1H3
InChIKeyLZNPTLWDKYVOQN-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.19
Rot. Bonds4

About 2-(1,3-benzothiazol-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone

2-(1,3-benzothiazol-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone (PubChem CID 116568641) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone
PubChem CID116568641
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone
SMILESCCC1(C(=O)Cc2nc3ccccc3s2)CCCNC1
InChIInChI=1S/C16H20N2OS/c1-2-16(8-5-9-17-11-16)14(19)10-15-18-12-6-3-4-7-13(12)20-15/h3-4,6-7,17H,2,5,8-11H2,1H3
InChIKeyLZNPTLWDKYVOQN-UHFFFAOYSA-N
XLogP3.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzothiazol-2-yl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569488
2-(1,3-benzothiazol-2-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580546
2-(1,3-benzothiazol-2-yl)-1-(1-methoxycyclopentyl)ethanone
CID 104610095
2-(3-bromothiophen-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568661
1-(1,3-benzothiazol-2-ylmethyl)cycloheptane-1-carboxylic acid
CID 43470940
4-(1,3-benzothiazol-2-ylmethyl)azepan-4-ol
CID 103982930
2-(5-bromo-2-pyridinyl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568711
1-(1,3-benzothiazol-2-ylmethyl)-N-butylcyclopentane-1-carboxamide
CID 43021084
N-(6-chloro-1,3-benzothiazol-2-yl)-3-ethylpiperidine-3-carboxamide
CID 63132685
2-(2-chloro-6-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568506
2-(1,3-benzothiazol-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749606
2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone
CID 116570367

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone (CID 116568641) is 2-(1,3-benzothiazol-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone is CCC1(C(=O)Cc2nc3ccccc3s2)CCCNC1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone?
The InChIKey is LZNPTLWDKYVOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-2-16(8-5-9-17-11-16)14(19)10-15-18-12-6-3-4-7-13(12)20-15/h3-4,6-7,17H,2,5,8-11H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone?
2-(1,3-benzothiazol-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone has a molecular weight of 288.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone is sourced from PubChem (CID 116568641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).