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

C17H23N3O2S — CID 9470642

IUPAC5-(1,3-benzothiazol-2-yl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pentanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)CCCCc1nc2ccccc2s1
InChIInChI=1S/C17H23N3O2S/c1-3-18-17(22)12(2)19-15(21)10-6-7-11-16-20-13-8-4-5-9-14(13)23-16/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,18,22)(H,19,21)/t12-/m1/s1
InChIKeyKVNNPGAOZYAHGG-GFCCVEGCSA-N
MW333.46 g/mol
LogP2.65
Rot. Bonds8

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

5-(1,3-benzothiazol-2-yl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pentanamide (PubChem CID 9470642) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pentanamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pentanamide
PubChem CID9470642
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pentanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)CCCCc1nc2ccccc2s1
InChIInChI=1S/C17H23N3O2S/c1-3-18-17(22)12(2)19-15(21)10-6-7-11-16-20-13-8-4-5-9-14(13)23-16/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,18,22)(H,19,21)/t12-/m1/s1
InChIKeyKVNNPGAOZYAHGG-GFCCVEGCSA-N
XLogP2.65
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.65
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

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-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
2-[5-(1,3-benzothiazol-2-yl)pentanoylamino]-2-methylbutanoic acid
CID 119199158
5-(1,3-benzothiazol-2-yl)-N-prop-2-enylpentanamide
CID 78802007
N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 9296966
3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]propanoic acid
CID 119177074
methyl 5-(1,3-benzothiazol-2-yl)pentanoate
CID 18002644
N-[1-[3-(1,3-benzothiazol-2-yl)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46432293
5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide
CID 9039379
3-[3-(1,3-benzothiazol-2-yl)propanoylamino]butanoic acid
CID 43360732

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pentanamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pentanamide (CID 9470642) is 5-(1,3-benzothiazol-2-yl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pentanamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pentanamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pentanamide is CCNC(=O)[C@@H](C)NC(=O)CCCCc1nc2ccccc2s1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pentanamide?
The InChIKey is KVNNPGAOZYAHGG-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-3-18-17(22)12(2)19-15(21)10-6-7-11-16-20-13-8-4-5-9-14(13)23-16/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,18,22)(H,19,21)/t12-/m1/s1.
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pentanamide?
5-(1,3-benzothiazol-2-yl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pentanamide has a molecular weight of 333.46 g/mol, XLogP of 2.65, 8 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-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pentanamide is sourced from PubChem (CID 9470642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).