5-oxo-2-propyl-5-(1,3-thiazol-2-ylamino)pentanoic acid

C11H16N2O3S — CID 3142084

IUPAC5-oxo-2-propyl-5-(1,3-thiazol-2-ylamino)pentanoic acid
SMILESCCCC(CCC(=O)Nc1nccs1)C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-2-3-8(10(15)16)4-5-9(14)13-11-12-6-7-17-11/h6-8H,2-5H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyIPLNQILSPZHUJK-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.36
Rot. Bonds7

About 5-oxo-2-propyl-5-(1,3-thiazol-2-ylamino)pentanoic acid

5-oxo-2-propyl-5-(1,3-thiazol-2-ylamino)pentanoic acid (PubChem CID 3142084) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-oxo-2-propyl-5-(1,3-thiazol-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-2-propyl-5-(1,3-thiazol-2-ylamino)pentanoic acid
PubChem CID3142084
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name5-oxo-2-propyl-5-(1,3-thiazol-2-ylamino)pentanoic acid
SMILESCCCC(CCC(=O)Nc1nccs1)C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-2-3-8(10(15)16)4-5-9(14)13-11-12-6-7-17-11/h6-8H,2-5H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyIPLNQILSPZHUJK-UHFFFAOYSA-N
XLogP2.36
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-2-propyl-5-(1,3-thiazol-2-ylamino)pentanoic acid?
The IUPAC name of 5-oxo-2-propyl-5-(1,3-thiazol-2-ylamino)pentanoic acid (CID 3142084) is 5-oxo-2-propyl-5-(1,3-thiazol-2-ylamino)pentanoic acid.
What is the SMILES notation for 5-oxo-2-propyl-5-(1,3-thiazol-2-ylamino)pentanoic acid?
The canonical SMILES for 5-oxo-2-propyl-5-(1,3-thiazol-2-ylamino)pentanoic acid is CCCC(CCC(=O)Nc1nccs1)C(=O)O.
What is the InChIKey of 5-oxo-2-propyl-5-(1,3-thiazol-2-ylamino)pentanoic acid?
The InChIKey is IPLNQILSPZHUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-2-3-8(10(15)16)4-5-9(14)13-11-12-6-7-17-11/h6-8H,2-5H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 5-oxo-2-propyl-5-(1,3-thiazol-2-ylamino)pentanoic acid?
5-oxo-2-propyl-5-(1,3-thiazol-2-ylamino)pentanoic acid has a molecular weight of 256.33 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2-propyl-5-(1,3-thiazol-2-ylamino)pentanoic acid is sourced from PubChem (CID 3142084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).