2-[2-(phenoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid

C15H17NO3S — CID 82434092

IUPAC2-[2-(phenoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid
SMILESCC(C)c1nc(COc2ccccc2)sc1CC(=O)O
InChIInChI=1S/C15H17NO3S/c1-10(2)15-12(8-14(17)18)20-13(16-15)9-19-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,17,18)
InChIKeyRCELEONYPLHEHI-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.47
Rot. Bonds6

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

2-[2-(phenoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid (PubChem CID 82434092) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-[2-(phenoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(phenoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid
PubChem CID82434092
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name2-[2-(phenoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid
SMILESCC(C)c1nc(COc2ccccc2)sc1CC(=O)O
InChIInChI=1S/C15H17NO3S/c1-10(2)15-12(8-14(17)18)20-13(16-15)9-19-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,17,18)
InChIKeyRCELEONYPLHEHI-UHFFFAOYSA-N
XLogP3.47
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(phenoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(phenoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid (CID 82434092) is 2-[2-(phenoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(phenoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(phenoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid is CC(C)c1nc(COc2ccccc2)sc1CC(=O)O.
What is the InChIKey of 2-[2-(phenoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is RCELEONYPLHEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-10(2)15-12(8-14(17)18)20-13(16-15)9-19-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(phenoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid?
2-[2-(phenoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 291.37 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(phenoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82434092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).