5-(1,3-benzothiazol-2-yl)-N-prop-2-enylpentanamide

C15H18N2OS — CID 78802007

IUPAC5-(1,3-benzothiazol-2-yl)-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)CCCCc1nc2ccccc2s1
InChIInChI=1S/C15H18N2OS/c1-2-11-16-14(18)9-5-6-10-15-17-12-7-3-4-8-13(12)19-15/h2-4,7-8H,1,5-6,9-11H2,(H,16,18)
InChIKeyAYJSAEOUXIKUDT-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.31
Rot. Bonds7

About 5-(1,3-benzothiazol-2-yl)-N-prop-2-enylpentanamide

5-(1,3-benzothiazol-2-yl)-N-prop-2-enylpentanamide (PubChem CID 78802007) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-prop-2-enylpentanamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-prop-2-enylpentanamide
PubChem CID78802007
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)CCCCc1nc2ccccc2s1
InChIInChI=1S/C15H18N2OS/c1-2-11-16-14(18)9-5-6-10-15-17-12-7-3-4-8-13(12)19-15/h2-4,7-8H,1,5-6,9-11H2,(H,16,18)
InChIKeyAYJSAEOUXIKUDT-UHFFFAOYSA-N
XLogP3.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
N-(2-anilino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 55958284
N-(2-amino-2-methylpropyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 119625961
2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-N-prop-2-enylbenzamide
CID 34743638
5-(1,3-benzothiazol-2-yl)-N-(2-hydroxypropyl)pentanamide
CID 78822892
5-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)ethyl]pentanamide
CID 119504813
5-[4-(1,3-benzothiazol-2-yl)butylamino]-5-oxopentanoic acid
CID 123617279
N-(3-anilinopropyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 56541420
5-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]pentanamide
CID 9270471
4-(1,3-benzothiazol-2-yl)-N-benzylbutanamide
CID 2598266
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(1,3-benzothiazol-2-yl)pentanamide
CID 30249316

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-prop-2-enylpentanamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-prop-2-enylpentanamide (CID 78802007) is 5-(1,3-benzothiazol-2-yl)-N-prop-2-enylpentanamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-prop-2-enylpentanamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-prop-2-enylpentanamide is C=CCNC(=O)CCCCc1nc2ccccc2s1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-prop-2-enylpentanamide?
The InChIKey is AYJSAEOUXIKUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-2-11-16-14(18)9-5-6-10-15-17-12-7-3-4-8-13(12)19-15/h2-4,7-8H,1,5-6,9-11H2,(H,16,18).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-prop-2-enylpentanamide?
5-(1,3-benzothiazol-2-yl)-N-prop-2-enylpentanamide has a molecular weight of 274.39 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-prop-2-enylpentanamide is sourced from PubChem (CID 78802007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).