(4S)-2-[(2-hydroxyphenyl)methyl]-5,5-dimethyl-4H-1,3-thiazole-4-carboxylic acid

C13H15NO3S — CID 58433747

IUPAC(4S)-2-[(2-hydroxyphenyl)methyl]-5,5-dimethyl-4H-1,3-thiazole-4-carboxylic acid
SMILESCC1(C)SC(Cc2ccccc2O)=N[C@H]1C(=O)O
InChIInChI=1S/C13H15NO3S/c1-13(2)11(12(16)17)14-10(18-13)7-8-5-3-4-6-9(8)15/h3-6,11,15H,7H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyLNHLHZOOVMACDV-NSHDSACASA-N
MW265.33 g/mol
LogP2.31
Rot. Bonds3

About (4S)-2-[(2-hydroxyphenyl)methyl]-5,5-dimethyl-4H-1,3-thiazole-4-carboxylic acid

(4S)-2-[(2-hydroxyphenyl)methyl]-5,5-dimethyl-4H-1,3-thiazole-4-carboxylic acid (PubChem CID 58433747) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is (4S)-2-[(2-hydroxyphenyl)methyl]-5,5-dimethyl-4H-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-[(2-hydroxyphenyl)methyl]-5,5-dimethyl-4H-1,3-thiazole-4-carboxylic acid
PubChem CID58433747
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name(4S)-2-[(2-hydroxyphenyl)methyl]-5,5-dimethyl-4H-1,3-thiazole-4-carboxylic acid
SMILESCC1(C)SC(Cc2ccccc2O)=N[C@H]1C(=O)O
InChIInChI=1S/C13H15NO3S/c1-13(2)11(12(16)17)14-10(18-13)7-8-5-3-4-6-9(8)15/h3-6,11,15H,7H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyLNHLHZOOVMACDV-NSHDSACASA-N
XLogP2.31
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S)-2-[(2-hydroxyphenyl)methyl]-5,5-dimethyl-4H-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[(2-hydroxyphenyl)methyl]-5,5-dimethyl-4H-1,3-thiazole-4-carboxylic acid?
The IUPAC name of (4S)-2-[(2-hydroxyphenyl)methyl]-5,5-dimethyl-4H-1,3-thiazole-4-carboxylic acid (CID 58433747) is (4S)-2-[(2-hydroxyphenyl)methyl]-5,5-dimethyl-4H-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for (4S)-2-[(2-hydroxyphenyl)methyl]-5,5-dimethyl-4H-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for (4S)-2-[(2-hydroxyphenyl)methyl]-5,5-dimethyl-4H-1,3-thiazole-4-carboxylic acid is CC1(C)SC(Cc2ccccc2O)=N[C@H]1C(=O)O.
What is the InChIKey of (4S)-2-[(2-hydroxyphenyl)methyl]-5,5-dimethyl-4H-1,3-thiazole-4-carboxylic acid?
The InChIKey is LNHLHZOOVMACDV-NSHDSACASA-N. The full InChI is InChI=1S/C13H15NO3S/c1-13(2)11(12(16)17)14-10(18-13)7-8-5-3-4-6-9(8)15/h3-6,11,15H,7H2,1-2H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (4S)-2-[(2-hydroxyphenyl)methyl]-5,5-dimethyl-4H-1,3-thiazole-4-carboxylic acid?
(4S)-2-[(2-hydroxyphenyl)methyl]-5,5-dimethyl-4H-1,3-thiazole-4-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[(2-hydroxyphenyl)methyl]-5,5-dimethyl-4H-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 58433747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).