3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzothiazol-2-one

C17H24N2OS — CID 10017936

IUPAC3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzothiazol-2-one
SMILESCCCc1ccc2c(c1)sc(=O)n2CCN1CCCCC1
InChIInChI=1S/C17H24N2OS/c1-2-6-14-7-8-15-16(13-14)21-17(20)19(15)12-11-18-9-4-3-5-10-18/h7-8,13H,2-6,9-12H2,1H3
InChIKeyYFOWKTXUYSMIRP-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.50
Rot. Bonds5

About 3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzothiazol-2-one

3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzothiazol-2-one (PubChem CID 10017936) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzothiazol-2-one
PubChem CID10017936
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzothiazol-2-one
SMILESCCCc1ccc2c(c1)sc(=O)n2CCN1CCCCC1
InChIInChI=1S/C17H24N2OS/c1-2-6-14-7-8-15-16(13-14)21-17(20)19(15)12-11-18-9-4-3-5-10-18/h7-8,13H,2-6,9-12H2,1H3
InChIKeyYFOWKTXUYSMIRP-UHFFFAOYSA-N
XLogP3.50
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-6-propyl-1,3-benzothiazol-2-one;hydrochloride
CID 171827451
3-[2-(azepan-1-yl)ethyl]-6-(3-bromopropyl)-1,3-benzothiazol-2-one
CID 59630101
3-[2-(azepan-1-yl)ethyl]-6-(3-hydroxypropyl)-1,3-benzothiazol-2-one
CID 59630065
3-[2-(azepan-1-yl)ethyl]-6-benzyl-1,3-benzothiazol-2-one;hydrochloride
CID 25196536
2-[3-[3-[2-(azepan-1-yl)ethyl]-2-oxo-1,3-benzothiazol-6-yl]propyl]benzoic acid
CID 123398400
3-(6-bromohexyl)-6-propyl-1,3-benzothiazol-2-one
CID 71818000
3-[2-(azepan-1-yl)ethyl]-6-benzoyl-1,3-benzothiazol-2-one
CID 25196534
3-methyl-6-[4-[methyl(2-piperidin-1-ylethyl)amino]butyl]-1,3-benzothiazol-2-one
CID 21474225
3-[6-(azepan-1-yl)hexyl]-6-propanoyl-1,3-benzothiazol-2-one;hydrochloride
CID 71818438
6-butyl-3-methyl-1,3-benzothiazol-2-one
CID 19913098
3-[2-(azepan-1-yl)ethyl]-6-(furan-2-carbonyl)-1,3-benzothiazol-2-one;hydrochloride
CID 171827386
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-one
CID 19437793

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzothiazol-2-one?
The IUPAC name of 3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzothiazol-2-one (CID 10017936) is 3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzothiazol-2-one.
What is the SMILES notation for 3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzothiazol-2-one?
The canonical SMILES for 3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzothiazol-2-one is CCCc1ccc2c(c1)sc(=O)n2CCN1CCCCC1.
What is the InChIKey of 3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzothiazol-2-one?
The InChIKey is YFOWKTXUYSMIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-2-6-14-7-8-15-16(13-14)21-17(20)19(15)12-11-18-9-4-3-5-10-18/h7-8,13H,2-6,9-12H2,1H3.
What are the key properties of 3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzothiazol-2-one?
3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzothiazol-2-one has a molecular weight of 304.46 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-1-ylethyl)-6-propyl-1,3-benzothiazol-2-one is sourced from PubChem (CID 10017936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).