(4S)-2-(2-hydroxy-4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

C11H11NO3S — CID 135967469

IUPAC(4S)-2-(2-hydroxy-4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(C2=N[C@@H](C(=O)O)CS2)c(O)c1
InChIInChI=1S/C11H11NO3S/c1-6-2-3-7(9(13)4-6)10-12-8(5-16-10)11(14)15/h2-4,8,13H,5H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyPTQZQMTWCDJARW-MRVPVSSYSA-N
MW237.28 g/mol
LogP1.65
Rot. Bonds2

About (4S)-2-(2-hydroxy-4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

(4S)-2-(2-hydroxy-4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 135967469) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is (4S)-2-(2-hydroxy-4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-(2-hydroxy-4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID135967469
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name(4S)-2-(2-hydroxy-4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(C2=N[C@@H](C(=O)O)CS2)c(O)c1
InChIInChI=1S/C11H11NO3S/c1-6-2-3-7(9(13)4-6)10-12-8(5-16-10)11(14)15/h2-4,8,13H,5H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyPTQZQMTWCDJARW-MRVPVSSYSA-N
XLogP1.65
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2-hydroxy-4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of (4S)-2-(2-hydroxy-4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 135967469) is (4S)-2-(2-hydroxy-4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for (4S)-2-(2-hydroxy-4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for (4S)-2-(2-hydroxy-4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is Cc1ccc(C2=N[C@@H](C(=O)O)CS2)c(O)c1.
What is the InChIKey of (4S)-2-(2-hydroxy-4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is PTQZQMTWCDJARW-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-6-2-3-7(9(13)4-6)10-12-8(5-16-10)11(14)15/h2-4,8,13H,5H2,1H3,(H,14,15)/t8-/m1/s1.
What are the key properties of (4S)-2-(2-hydroxy-4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
(4S)-2-(2-hydroxy-4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid has a molecular weight of 237.28 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(2-hydroxy-4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 135967469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).