5-[3-(1,3-thiazol-2-yl)propanoylamino]pentanoic acid

C11H16N2O3S — CID 119235090

IUPAC5-[3-(1,3-thiazol-2-yl)propanoylamino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)CCc1nccs1
InChIInChI=1S/C11H16N2O3S/c14-9(4-5-10-13-7-8-17-10)12-6-2-1-3-11(15)16/h7-8H,1-6H2,(H,12,14)(H,15,16)
InChIKeyBAHSQSJZLABZMM-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.45
Rot. Bonds8

About 5-[3-(1,3-thiazol-2-yl)propanoylamino]pentanoic acid

5-[3-(1,3-thiazol-2-yl)propanoylamino]pentanoic acid (PubChem CID 119235090) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-[3-(1,3-thiazol-2-yl)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name5-[3-(1,3-thiazol-2-yl)propanoylamino]pentanoic acid
PubChem CID119235090
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name5-[3-(1,3-thiazol-2-yl)propanoylamino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)CCc1nccs1
InChIInChI=1S/C11H16N2O3S/c14-9(4-5-10-13-7-8-17-10)12-6-2-1-3-11(15)16/h7-8H,1-6H2,(H,12,14)(H,15,16)
InChIKeyBAHSQSJZLABZMM-UHFFFAOYSA-N
XLogP1.45
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.45
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-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 107910060
5-(3-thiophen-2-ylpropanoylamino)pentanoic acid
CID 62031946
4-[[ethyl-[2-(1,3-thiazol-2-yl)ethyl]carbamoyl]amino]butanoic acid
CID 122023020
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
4-[propan-2-yl-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]amino]butanoic acid
CID 63241082
(4R)-4-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)propyl]pentanamide
CID 126452069
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762
azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid
CID 170853910
octanedioic acid;bis(1,3-thiazol-2-amine)
CID 139147698
3-(1,3-thiazol-2-yl)propanamide
CID 45121787
6-(1,3-thiazol-2-yl)hexan-2-one
CID 134309859

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1,3-thiazol-2-yl)propanoylamino]pentanoic acid?
The IUPAC name of 5-[3-(1,3-thiazol-2-yl)propanoylamino]pentanoic acid (CID 119235090) is 5-[3-(1,3-thiazol-2-yl)propanoylamino]pentanoic acid.
What is the SMILES notation for 5-[3-(1,3-thiazol-2-yl)propanoylamino]pentanoic acid?
The canonical SMILES for 5-[3-(1,3-thiazol-2-yl)propanoylamino]pentanoic acid is O=C(O)CCCCNC(=O)CCc1nccs1.
What is the InChIKey of 5-[3-(1,3-thiazol-2-yl)propanoylamino]pentanoic acid?
The InChIKey is BAHSQSJZLABZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c14-9(4-5-10-13-7-8-17-10)12-6-2-1-3-11(15)16/h7-8H,1-6H2,(H,12,14)(H,15,16).
What are the key properties of 5-[3-(1,3-thiazol-2-yl)propanoylamino]pentanoic acid?
5-[3-(1,3-thiazol-2-yl)propanoylamino]pentanoic acid has a molecular weight of 256.33 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1,3-thiazol-2-yl)propanoylamino]pentanoic acid is sourced from PubChem (CID 119235090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).