(4S)-2-(4-carboxy-2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

C11H9NO5S — CID 135433801

IUPAC(4S)-2-(4-carboxy-2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ccc(C2=N[C@@H](C(=O)O)CS2)c(O)c1
InChIInChI=1S/C11H9NO5S/c13-8-3-5(10(14)15)1-2-6(8)9-12-7(4-18-9)11(16)17/h1-3,7,13H,4H2,(H,14,15)(H,16,17)/t7-/m1/s1
InChIKeyFJIOAKBLZPZIHD-SSDOTTSWSA-N
MW267.26 g/mol
LogP1.04
Rot. Bonds3

About (4S)-2-(4-carboxy-2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

(4S)-2-(4-carboxy-2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 135433801) has the molecular formula C11H9NO5S and a molecular weight of 267.26 g/mol. Its IUPAC name is (4S)-2-(4-carboxy-2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-(4-carboxy-2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID135433801
Molecular FormulaC11H9NO5S
Molecular Weight267.26 g/mol
Exact Mass267.02
IUPAC Name(4S)-2-(4-carboxy-2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ccc(C2=N[C@@H](C(=O)O)CS2)c(O)c1
InChIInChI=1S/C11H9NO5S/c13-8-3-5(10(14)15)1-2-6(8)9-12-7(4-18-9)11(16)17/h1-3,7,13H,4H2,(H,14,15)(H,16,17)/t7-/m1/s1
InChIKeyFJIOAKBLZPZIHD-SSDOTTSWSA-N
XLogP1.04
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (4S)-2-(4-carboxy-2-hydroxyphenyl)-4,5-dihydro-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-(4-carboxy-2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of (4S)-2-(4-carboxy-2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 135433801) is (4S)-2-(4-carboxy-2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for (4S)-2-(4-carboxy-2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for (4S)-2-(4-carboxy-2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is O=C(O)c1ccc(C2=N[C@@H](C(=O)O)CS2)c(O)c1.
What is the InChIKey of (4S)-2-(4-carboxy-2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is FJIOAKBLZPZIHD-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H9NO5S/c13-8-3-5(10(14)15)1-2-6(8)9-12-7(4-18-9)11(16)17/h1-3,7,13H,4H2,(H,14,15)(H,16,17)/t7-/m1/s1.
What are the key properties of (4S)-2-(4-carboxy-2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
(4S)-2-(4-carboxy-2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid has a molecular weight of 267.26 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(4-carboxy-2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 135433801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).