2-[2-(oxolan-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetic acid

C15H15NO3S — CID 79785896

IUPAC2-[2-(oxolan-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(C2CCCO2)nc1-c1ccccc1
InChIInChI=1S/C15H15NO3S/c17-13(18)9-12-14(10-5-2-1-3-6-10)16-15(20-12)11-7-4-8-19-11/h1-3,5-6,11H,4,7-9H2,(H,17,18)
InChIKeyHZGWMNWGESTSKJ-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.29
Rot. Bonds4

About 2-[2-(oxolan-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetic acid

2-[2-(oxolan-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 79785896) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-[2-(oxolan-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(oxolan-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
PubChem CID79785896
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name2-[2-(oxolan-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(C2CCCO2)nc1-c1ccccc1
InChIInChI=1S/C15H15NO3S/c17-13(18)9-12-14(10-5-2-1-3-6-10)16-15(20-12)11-7-4-8-19-11/h1-3,5-6,11H,4,7-9H2,(H,17,18)
InChIKeyHZGWMNWGESTSKJ-UHFFFAOYSA-N
XLogP3.29
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(oxolan-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetic acid (CID 79785896) is 2-[2-(oxolan-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(oxolan-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(oxolan-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(C2CCCO2)nc1-c1ccccc1.
What is the InChIKey of 2-[2-(oxolan-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is HZGWMNWGESTSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c17-13(18)9-12-14(10-5-2-1-3-6-10)16-15(20-12)11-7-4-8-19-11/h1-3,5-6,11H,4,7-9H2,(H,17,18).
What are the key properties of 2-[2-(oxolan-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
2-[2-(oxolan-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 289.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 79785896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).