2-[[2-(carboxymethylsulfanyl)-1,3-thiazol-4-yl]sulfanyl]acetic acid

C7H7NO4S3 — CID 71370203

IUPAC2-[[2-(carboxymethylsulfanyl)-1,3-thiazol-4-yl]sulfanyl]acetic acid
SMILESO=C(O)CSc1csc(SCC(=O)O)n1
InChIInChI=1S/C7H7NO4S3/c9-5(10)2-13-4-1-14-7(8-4)15-3-6(11)12/h1H,2-3H2,(H,9,10)(H,11,12)
InChIKeyWSLGEHITHGOOPI-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.50
Rot. Bonds6

About 2-[[2-(carboxymethylsulfanyl)-1,3-thiazol-4-yl]sulfanyl]acetic acid

2-[[2-(carboxymethylsulfanyl)-1,3-thiazol-4-yl]sulfanyl]acetic acid (PubChem CID 71370203) has the molecular formula C7H7NO4S3 and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-[[2-(carboxymethylsulfanyl)-1,3-thiazol-4-yl]sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[2-(carboxymethylsulfanyl)-1,3-thiazol-4-yl]sulfanyl]acetic acid
PubChem CID71370203
Molecular FormulaC7H7NO4S3
Molecular Weight265.34 g/mol
Exact Mass264.95
IUPAC Name2-[[2-(carboxymethylsulfanyl)-1,3-thiazol-4-yl]sulfanyl]acetic acid
SMILESO=C(O)CSc1csc(SCC(=O)O)n1
InChIInChI=1S/C7H7NO4S3/c9-5(10)2-13-4-1-14-7(8-4)15-3-6(11)12/h1H,2-3H2,(H,9,10)(H,11,12)
InChIKeyWSLGEHITHGOOPI-UHFFFAOYSA-N
XLogP1.50
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(carboxymethylsulfanyl)-1,3-thiazol-4-yl]sulfanyl]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2,4-Bis(acetyl-thio)thiazole
CID 129789703
2,4-Bis(dicarboxymethylthio)thiazole
CID 129789387
2-[(4-Chloro-1,3-thiazol-2-yl)sulfanyl]acetic acid
CID 83152992
2-(1,3-Thiazol-4-ylsulfanyl)acetic acid
CID 90934592
2-((2-Chlorothiazol-4-yl)sulfinyl)acetic acid
CID 168440625
2-((2-Chlorothiazol-4-yl)thio)acetic acid
CID 168440689
2-((2-Chlorothiazol-4-yl)sulfonyl)acetic acid
CID 168441638
2-[(2-Bromo-1,3-thiazol-4-yl)sulfonyl]acetic acid
CID 170702487
2-[(4-Bromo-1,3-thiazol-2-yl)sulfanyl]acetic acid
CID 79399220
2-[(2-Methyl-4-sulfanyl-1,3-thiazol-5-yl)sulfanyl]acetic acid
CID 156005813

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(carboxymethylsulfanyl)-1,3-thiazol-4-yl]sulfanyl]acetic acid?
The IUPAC name of 2-[[2-(carboxymethylsulfanyl)-1,3-thiazol-4-yl]sulfanyl]acetic acid (CID 71370203) is 2-[[2-(carboxymethylsulfanyl)-1,3-thiazol-4-yl]sulfanyl]acetic acid.
What is the SMILES notation for 2-[[2-(carboxymethylsulfanyl)-1,3-thiazol-4-yl]sulfanyl]acetic acid?
The canonical SMILES for 2-[[2-(carboxymethylsulfanyl)-1,3-thiazol-4-yl]sulfanyl]acetic acid is O=C(O)CSc1csc(SCC(=O)O)n1.
What is the InChIKey of 2-[[2-(carboxymethylsulfanyl)-1,3-thiazol-4-yl]sulfanyl]acetic acid?
The InChIKey is WSLGEHITHGOOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4S3/c9-5(10)2-13-4-1-14-7(8-4)15-3-6(11)12/h1H,2-3H2,(H,9,10)(H,11,12).
What are the key properties of 2-[[2-(carboxymethylsulfanyl)-1,3-thiazol-4-yl]sulfanyl]acetic acid?
2-[[2-(carboxymethylsulfanyl)-1,3-thiazol-4-yl]sulfanyl]acetic acid has a molecular weight of 265.34 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(carboxymethylsulfanyl)-1,3-thiazol-4-yl]sulfanyl]acetic acid is sourced from PubChem (CID 71370203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).