N-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide

C14H20N2O2S — CID 19920451

IUPACN-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCC1NC2=C(CC(=O)C=C2)S1
InChIInChI=1S/C14H20N2O2S/c1-2-3-4-13(18)15-8-7-14-16-11-6-5-10(17)9-12(11)19-14/h5-6,14,16H,2-4,7-9H2,1H3,(H,15,18)
InChIKeyZACOKVQQVZBQJA-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.09
Rot. Bonds6

About N-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide

N-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide (PubChem CID 19920451) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide
PubChem CID19920451
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCC1NC2=C(CC(=O)C=C2)S1
InChIInChI=1S/C14H20N2O2S/c1-2-3-4-13(18)15-8-7-14-16-11-6-5-10(17)9-12(11)19-14/h5-6,14,16H,2-4,7-9H2,1H3,(H,15,18)
InChIKeyZACOKVQQVZBQJA-UHFFFAOYSA-N
XLogP2.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]-1H-indole-2-carboxamide
CID 19920331
4-chloro-N-[2-(6-oxo-3,7-dihydro-2H-1,3-benzoxazol-2-yl)ethyl]butanamide
CID 19920268
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]dodecanamide
CID 104971837
N-(2-pyrrolidin-2-ylethyl)octanamide
CID 114793852
2-bromo-N-[2-(3-methyl-6-oxo-2,7-dihydro-1,3-benzothiazol-2-yl)ethyl]acetamide
CID 19920468
2-amino-N-[2-(3-methyl-6-oxo-2,7-dihydro-1,3-benzothiazol-2-yl)ethyl]acetamide
CID 19920390
N-(2-piperidin-2-ylethyl)octanamide
CID 43125232
N-[7-(pentanoylamino)heptyl]pentanamide
CID 4139658
N-butyl-6-[(4R)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]hexanamide
CID 177242331
N-[2-(3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]pentanamide
CID 19920368
4-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-propylbutanamide
CID 59504913
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-hexylpentanamide
CID 10520289

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide?
The IUPAC name of N-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide (CID 19920451) is N-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide.
What is the SMILES notation for N-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide?
The canonical SMILES for N-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide is CCCCC(=O)NCCC1NC2=C(CC(=O)C=C2)S1.
What is the InChIKey of N-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide?
The InChIKey is ZACOKVQQVZBQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-2-3-4-13(18)15-8-7-14-16-11-6-5-10(17)9-12(11)19-14/h5-6,14,16H,2-4,7-9H2,1H3,(H,15,18).
What are the key properties of N-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide?
N-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide has a molecular weight of 280.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-3,7-dihydro-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide is sourced from PubChem (CID 19920451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).