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

C8H11NO2S — CID 104571922

IUPAC2-(1,3-thiazol-2-yl)pentanoic acid
SMILESCCCC(C(=O)O)c1nccs1
InChIInChI=1S/C8H11NO2S/c1-2-3-6(8(10)11)7-9-4-5-12-7/h4-6H,2-3H2,1H3,(H,10,11)
InChIKeySUOVBOCCCCFTPD-UHFFFAOYSA-N
MW185.25 g/mol
LogP2.11
Rot. Bonds4

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

2-(1,3-thiazol-2-yl)pentanoic acid (PubChem CID 104571922) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)pentanoic acid.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)pentanoic acid
PubChem CID104571922
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2-(1,3-thiazol-2-yl)pentanoic acid
SMILESCCCC(C(=O)O)c1nccs1
InChIInChI=1S/C8H11NO2S/c1-2-3-6(8(10)11)7-9-4-5-12-7/h4-6H,2-3H2,1H3,(H,10,11)
InChIKeySUOVBOCCCCFTPD-UHFFFAOYSA-N
XLogP2.11
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)pentanoic acid?
The IUPAC name of 2-(1,3-thiazol-2-yl)pentanoic acid (CID 104571922) is 2-(1,3-thiazol-2-yl)pentanoic acid.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)pentanoic acid?
The canonical SMILES for 2-(1,3-thiazol-2-yl)pentanoic acid is CCCC(C(=O)O)c1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)pentanoic acid?
The InChIKey is SUOVBOCCCCFTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-2-3-6(8(10)11)7-9-4-5-12-7/h4-6H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-(1,3-thiazol-2-yl)pentanoic acid?
2-(1,3-thiazol-2-yl)pentanoic acid has a molecular weight of 185.25 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)pentanoic acid is sourced from PubChem (CID 104571922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).