2-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetic acid

C11H11NO3S — CID 135452015

IUPAC2-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)C[C@H]1CSC(c2ccccc2O)=N1
InChIInChI=1S/C11H11NO3S/c13-9-4-2-1-3-8(9)11-12-7(6-16-11)5-10(14)15/h1-4,7,13H,5-6H2,(H,14,15)/t7-/m0/s1
InChIKeyFPIGGRSLYOGEDS-ZETCQYMHSA-N
MW237.28 g/mol
LogP1.73
Rot. Bonds3

About 2-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetic acid

2-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetic acid (PubChem CID 135452015) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetic acid
PubChem CID135452015
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name2-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)C[C@H]1CSC(c2ccccc2O)=N1
InChIInChI=1S/C11H11NO3S/c13-9-4-2-1-3-8(9)11-12-7(6-16-11)5-10(14)15/h1-4,7,13H,5-6H2,(H,14,15)/t7-/m0/s1
InChIKeyFPIGGRSLYOGEDS-ZETCQYMHSA-N
XLogP1.73
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetic acid (CID 135452015) is 2-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetic acid is O=C(O)C[C@H]1CSC(c2ccccc2O)=N1.
What is the InChIKey of 2-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetic acid?
The InChIKey is FPIGGRSLYOGEDS-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11NO3S/c13-9-4-2-1-3-8(9)11-12-7(6-16-11)5-10(14)15/h1-4,7,13H,5-6H2,(H,14,15)/t7-/m0/s1.
What are the key properties of 2-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetic acid?
2-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetic acid has a molecular weight of 237.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 135452015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).