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

C14H17N3O2S — CID 9296966

IUPACN-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide
SMILESNC(=O)CNC(=O)CCCCc1nc2ccccc2s1
InChIInChI=1S/C14H17N3O2S/c15-12(18)9-16-13(19)7-3-4-8-14-17-10-5-1-2-6-11(10)20-14/h1-2,5-6H,3-4,7-9H2,(H2,15,18)(H,16,19)
InChIKeyCOSOBUQOWWBMPG-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.61
Rot. Bonds7

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

N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide (PubChem CID 9296966) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide
PubChem CID9296966
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide
SMILESNC(=O)CNC(=O)CCCCc1nc2ccccc2s1
InChIInChI=1S/C14H17N3O2S/c15-12(18)9-16-13(19)7-3-4-8-14-17-10-5-1-2-6-11(10)20-14/h1-2,5-6H,3-4,7-9H2,(H2,15,18)(H,16,19)
InChIKeyCOSOBUQOWWBMPG-UHFFFAOYSA-N
XLogP1.61
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.61
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-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
3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]propanoic acid
CID 119177074
5-(1,3-benzothiazol-2-yl)-N-prop-2-enylpentanamide
CID 78802007
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
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(1,3-benzothiazol-2-yl)pentanamide
CID 30249316
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
(2S)-3-[4-(1,3-benzothiazol-2-yl)butanoylamino]-2-phenylpropanoic acid
CID 97234535

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide (CID 9296966) is N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide is NC(=O)CNC(=O)CCCCc1nc2ccccc2s1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide?
The InChIKey is COSOBUQOWWBMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c15-12(18)9-16-13(19)7-3-4-8-14-17-10-5-1-2-6-11(10)20-14/h1-2,5-6H,3-4,7-9H2,(H2,15,18)(H,16,19).
What are the key properties of N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide?
N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide has a molecular weight of 291.38 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide is sourced from PubChem (CID 9296966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).