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

C15H18N2OS — CID 116569488

IUPAC2-(1,3-benzothiazol-2-yl)-1-(3-methylpiperidin-3-yl)ethanone
SMILESCC1(C(=O)Cc2nc3ccccc3s2)CCCNC1
InChIInChI=1S/C15H18N2OS/c1-15(7-4-8-16-10-15)13(18)9-14-17-11-5-2-3-6-12(11)19-14/h2-3,5-6,16H,4,7-10H2,1H3
InChIKeyQQRVLTGQOSSGOQ-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.80
Rot. Bonds3

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

2-(1,3-benzothiazol-2-yl)-1-(3-methylpiperidin-3-yl)ethanone (PubChem CID 116569488) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(3-methylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(3-methylpiperidin-3-yl)ethanone
PubChem CID116569488
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(3-methylpiperidin-3-yl)ethanone
SMILESCC1(C(=O)Cc2nc3ccccc3s2)CCCNC1
InChIInChI=1S/C15H18N2OS/c1-15(7-4-8-16-10-15)13(18)9-14-17-11-5-2-3-6-12(11)19-14/h2-3,5-6,16H,4,7-10H2,1H3
InChIKeyQQRVLTGQOSSGOQ-UHFFFAOYSA-N
XLogP2.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzothiazol-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568641
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
4-(1,3-benzothiazol-2-ylmethyl)azepan-4-ol
CID 103982930
2-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-benzothiazole
CID 102850087
N-(1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-carboxamide
CID 877267
2-(1,3-benzothiazol-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749606
2-(4-chlorophenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569296
1-(1,3-benzothiazol-2-ylmethyl)cycloheptane-1-carboxylic acid
CID 43470940
1-(1,3-benzothiazol-2-yl)-3-hydroxybutan-2-one
CID 103451335
2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide
CID 66554003
4-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol
CID 79818430

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(3-methylpiperidin-3-yl)ethanone?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(3-methylpiperidin-3-yl)ethanone (CID 116569488) is 2-(1,3-benzothiazol-2-yl)-1-(3-methylpiperidin-3-yl)ethanone.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(3-methylpiperidin-3-yl)ethanone?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(3-methylpiperidin-3-yl)ethanone is CC1(C(=O)Cc2nc3ccccc3s2)CCCNC1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(3-methylpiperidin-3-yl)ethanone?
The InChIKey is QQRVLTGQOSSGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-15(7-4-8-16-10-15)13(18)9-14-17-11-5-2-3-6-12(11)19-14/h2-3,5-6,16H,4,7-10H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(3-methylpiperidin-3-yl)ethanone?
2-(1,3-benzothiazol-2-yl)-1-(3-methylpiperidin-3-yl)ethanone has a molecular weight of 274.39 g/mol, XLogP of 2.80, 3 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-methylpiperidin-3-yl)ethanone is sourced from PubChem (CID 116569488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).