N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide

C15H22N2O2S — CID 54200449

IUPACN-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCC1Sc2cc(O)ccc2N1C
InChIInChI=1S/C15H22N2O2S/c1-3-4-5-14(19)16-9-8-15-17(2)12-7-6-11(18)10-13(12)20-15/h6-7,10,15,18H,3-5,8-9H2,1-2H3,(H,16,19)
InChIKeyPOWDHJAUQSDQCL-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.96
Rot. Bonds6

About N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide

N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide (PubChem CID 54200449) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide
PubChem CID54200449
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCC1Sc2cc(O)ccc2N1C
InChIInChI=1S/C15H22N2O2S/c1-3-4-5-14(19)16-9-8-15-17(2)12-7-6-11(18)10-13(12)20-15/h6-7,10,15,18H,3-5,8-9H2,1-2H3,(H,16,19)
InChIKeyPOWDHJAUQSDQCL-UHFFFAOYSA-N
XLogP2.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]acetamide
CID 54078717
N-[2-(7-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]-2-phenylacetamide
CID 54436316
N-[2-(3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]pentanamide
CID 19920368
N-[2-(4-hydroxyphenyl)ethyl]hexanamide
CID 21446637
3,5-dihydroxy-N-[2-(pentanoylamino)ethyl]benzamide
CID 108542562
N-[2-(6-hydroxy-3H-inden-1-yl)ethyl]pentanamide
CID 18360664
N-[2-(1-benzoylpiperidin-4-yl)ethyl]pentanamide
CID 46379006
N-[2-(4-hydroxyanilino)ethyl]octadecanamide
CID 54485525
N-[7-(pentanoylamino)heptyl]pentanamide
CID 4139658
N-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]pentanamide
CID 110790328
N-[2-(1,3-dihydroisoindol-2-yl)ethyl]hexanamide
CID 154775188
N-[4-[2-(4-hydroxyphenyl)ethylamino]-4-oxobutyl]docosanamide
CID 59789165

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide?
The IUPAC name of N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide (CID 54200449) is N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide.
What is the SMILES notation for N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide?
The canonical SMILES for N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide is CCCCC(=O)NCCC1Sc2cc(O)ccc2N1C.
What is the InChIKey of N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide?
The InChIKey is POWDHJAUQSDQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-4-5-14(19)16-9-8-15-17(2)12-7-6-11(18)10-13(12)20-15/h6-7,10,15,18H,3-5,8-9H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide?
N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide has a molecular weight of 294.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide is sourced from PubChem (CID 54200449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).