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

C11H17NO2S — CID 21405587

IUPAC5-(2-propyl-1,3-thiazol-5-yl)pentanoic acid
SMILESCCCc1ncc(CCCCC(=O)O)s1
InChIInChI=1S/C11H17NO2S/c1-2-5-10-12-8-9(15-10)6-3-4-7-11(13)14/h8H,2-7H2,1H3,(H,13,14)
InChIKeyUIVASUVYUHGWEY-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.89
Rot. Bonds7

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

5-(2-propyl-1,3-thiazol-5-yl)pentanoic acid (PubChem CID 21405587) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 5-(2-propyl-1,3-thiazol-5-yl)pentanoic acid.

Molecular Properties

Compound Name5-(2-propyl-1,3-thiazol-5-yl)pentanoic acid
PubChem CID21405587
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name5-(2-propyl-1,3-thiazol-5-yl)pentanoic acid
SMILESCCCc1ncc(CCCCC(=O)O)s1
InChIInChI=1S/C11H17NO2S/c1-2-5-10-12-8-9(15-10)6-3-4-7-11(13)14/h8H,2-7H2,1H3,(H,13,14)
InChIKeyUIVASUVYUHGWEY-UHFFFAOYSA-N
XLogP2.89
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-propyl-1,3-thiazol-5-yl)pentanoic acid?
The IUPAC name of 5-(2-propyl-1,3-thiazol-5-yl)pentanoic acid (CID 21405587) is 5-(2-propyl-1,3-thiazol-5-yl)pentanoic acid.
What is the SMILES notation for 5-(2-propyl-1,3-thiazol-5-yl)pentanoic acid?
The canonical SMILES for 5-(2-propyl-1,3-thiazol-5-yl)pentanoic acid is CCCc1ncc(CCCCC(=O)O)s1.
What is the InChIKey of 5-(2-propyl-1,3-thiazol-5-yl)pentanoic acid?
The InChIKey is UIVASUVYUHGWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-2-5-10-12-8-9(15-10)6-3-4-7-11(13)14/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 5-(2-propyl-1,3-thiazol-5-yl)pentanoic acid?
5-(2-propyl-1,3-thiazol-5-yl)pentanoic acid has a molecular weight of 227.33 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propyl-1,3-thiazol-5-yl)pentanoic acid is sourced from PubChem (CID 21405587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).