2-(2-methyl-1,3-thiazol-4-yl)hexanoic acid

C10H15NO2S — CID 71101414

IUPAC2-(2-methyl-1,3-thiazol-4-yl)hexanoic acid
SMILESCCCCC(C(=O)O)c1csc(C)n1
InChIInChI=1S/C10H15NO2S/c1-3-4-5-8(10(12)13)9-6-14-7(2)11-9/h6,8H,3-5H2,1-2H3,(H,12,13)
InChIKeyXURYYWHVLJWJAN-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.81
Rot. Bonds5

About 2-(2-methyl-1,3-thiazol-4-yl)hexanoic acid

2-(2-methyl-1,3-thiazol-4-yl)hexanoic acid (PubChem CID 71101414) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)hexanoic acid.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)hexanoic acid
PubChem CID71101414
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)hexanoic acid
SMILESCCCCC(C(=O)O)c1csc(C)n1
InChIInChI=1S/C10H15NO2S/c1-3-4-5-8(10(12)13)9-6-14-7(2)11-9/h6,8H,3-5H2,1-2H3,(H,12,13)
InChIKeyXURYYWHVLJWJAN-UHFFFAOYSA-N
XLogP2.81
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)hexanoic acid?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)hexanoic acid (CID 71101414) is 2-(2-methyl-1,3-thiazol-4-yl)hexanoic acid.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)hexanoic acid?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)hexanoic acid is CCCCC(C(=O)O)c1csc(C)n1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)hexanoic acid?
The InChIKey is XURYYWHVLJWJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-3-4-5-8(10(12)13)9-6-14-7(2)11-9/h6,8H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)hexanoic acid?
2-(2-methyl-1,3-thiazol-4-yl)hexanoic acid has a molecular weight of 213.30 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)hexanoic acid is sourced from PubChem (CID 71101414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).