5-(1,3-benzothiazol-2-yl)-N-(2-hydroxypropyl)pentanamide

C15H20N2O2S — CID 78822892

IUPAC5-(1,3-benzothiazol-2-yl)-N-(2-hydroxypropyl)pentanamide
SMILESCC(O)CNC(=O)CCCCc1nc2ccccc2s1
InChIInChI=1S/C15H20N2O2S/c1-11(18)10-16-14(19)8-4-5-9-15-17-12-6-2-3-7-13(12)20-15/h2-3,6-7,11,18H,4-5,8-10H2,1H3,(H,16,19)
InChIKeyLHLFILFAUOGCTK-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.51
Rot. Bonds7

About 5-(1,3-benzothiazol-2-yl)-N-(2-hydroxypropyl)pentanamide

5-(1,3-benzothiazol-2-yl)-N-(2-hydroxypropyl)pentanamide (PubChem CID 78822892) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-(2-hydroxypropyl)pentanamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-(2-hydroxypropyl)pentanamide
PubChem CID78822892
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-(2-hydroxypropyl)pentanamide
SMILESCC(O)CNC(=O)CCCCc1nc2ccccc2s1
InChIInChI=1S/C15H20N2O2S/c1-11(18)10-16-14(19)8-4-5-9-15-17-12-6-2-3-7-13(12)20-15/h2-3,6-7,11,18H,4-5,8-10H2,1H3,(H,16,19)
InChIKeyLHLFILFAUOGCTK-UHFFFAOYSA-N
XLogP2.51
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-methylpropyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 119625961
propan-2-yl 3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]propanoate
CID 51256553
3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]propanoic acid
CID 119177074
N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 9296966
5-(1,3-benzothiazol-2-yl)-N-prop-2-enylpentanamide
CID 78802007
4-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-2-phenylethyl]butanamide
CID 3936263
5-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)ethyl]pentanamide
CID 119504813
(2S)-3-[4-(1,3-benzothiazol-2-yl)butanoylamino]-2-phenylpropanoic acid
CID 97234535
5-(1,3-benzothiazol-2-yl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pentanamide
CID 9470642
4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-morpholin-4-ylpropyl]butanamide
CID 37248589
N-(2-anilino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 55958284
methyl 5-(1,3-benzothiazol-2-yl)pentanoate
CID 18002644

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(2-hydroxypropyl)pentanamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(2-hydroxypropyl)pentanamide (CID 78822892) is 5-(1,3-benzothiazol-2-yl)-N-(2-hydroxypropyl)pentanamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-(2-hydroxypropyl)pentanamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-(2-hydroxypropyl)pentanamide is CC(O)CNC(=O)CCCCc1nc2ccccc2s1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-(2-hydroxypropyl)pentanamide?
The InChIKey is LHLFILFAUOGCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-11(18)10-16-14(19)8-4-5-9-15-17-12-6-2-3-7-13(12)20-15/h2-3,6-7,11,18H,4-5,8-10H2,1H3,(H,16,19).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-(2-hydroxypropyl)pentanamide?
5-(1,3-benzothiazol-2-yl)-N-(2-hydroxypropyl)pentanamide has a molecular weight of 292.40 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-(2-hydroxypropyl)pentanamide is sourced from PubChem (CID 78822892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).