5-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)ethyl]pentanamide

C16H23N3OS — CID 119504813

IUPAC5-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)ethyl]pentanamide
SMILESCCNCCNC(=O)CCCCc1nc2ccccc2s1
InChIInChI=1S/C16H23N3OS/c1-2-17-11-12-18-15(20)9-5-6-10-16-19-13-7-3-4-8-14(13)21-16/h3-4,7-8,17H,2,5-6,9-12H2,1H3,(H,18,20)
InChIKeyLLWYIPKYEQREJE-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.73
Rot. Bonds9

About 5-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)ethyl]pentanamide

5-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)ethyl]pentanamide (PubChem CID 119504813) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)ethyl]pentanamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)ethyl]pentanamide
PubChem CID119504813
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)ethyl]pentanamide
SMILESCCNCCNC(=O)CCCCc1nc2ccccc2s1
InChIInChI=1S/C16H23N3OS/c1-2-17-11-12-18-15(20)9-5-6-10-16-19-13-7-3-4-8-14(13)21-16/h3-4,7-8,17H,2,5-6,9-12H2,1H3,(H,18,20)
InChIKeyLLWYIPKYEQREJE-UHFFFAOYSA-N
XLogP2.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.73
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

3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]propanoic acid
CID 119177074
5-[4-(1,3-benzothiazol-2-yl)butylamino]-5-oxopentanoic acid
CID 123617279
N-(2-amino-2-methylpropyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 119625961
N-(3-anilinopropyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 56541420
propan-2-yl 3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]propanoate
CID 51256553
4-(1,3-benzothiazol-2-yl)-N-[2-(1,3-benzothiazol-2-ylamino)ethyl]butanamide
CID 55601271
5-(1,3-benzothiazol-2-yl)-N-(2-hydroxypropyl)pentanamide
CID 78822892
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
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(1,3-benzothiazol-2-yl)pentanamide
CID 30249316
5-(1,3-benzothiazol-2-yl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pentanamide
CID 9470642
N-(2-anilino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 55958284

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)ethyl]pentanamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)ethyl]pentanamide (CID 119504813) is 5-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)ethyl]pentanamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)ethyl]pentanamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)ethyl]pentanamide is CCNCCNC(=O)CCCCc1nc2ccccc2s1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)ethyl]pentanamide?
The InChIKey is LLWYIPKYEQREJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-2-17-11-12-18-15(20)9-5-6-10-16-19-13-7-3-4-8-14(13)21-16/h3-4,7-8,17H,2,5-6,9-12H2,1H3,(H,18,20).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)ethyl]pentanamide?
5-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)ethyl]pentanamide has a molecular weight of 305.45 g/mol, XLogP of 2.73, 9 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-(ethylamino)ethyl]pentanamide is sourced from PubChem (CID 119504813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).