2-(4-methylsulfanyl-1,3-thiazol-2-yl)acetic acid

C6H7NO2S2 — CID 141307632

IUPAC2-(4-methylsulfanyl-1,3-thiazol-2-yl)acetic acid
SMILESCSc1csc(CC(=O)O)n1
InChIInChI=1S/C6H7NO2S2/c1-10-5-3-11-4(7-5)2-6(8)9/h3H,2H2,1H3,(H,8,9)
InChIKeyILJIURNLYPQOON-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.49
Rot. Bonds3

About 2-(4-methylsulfanyl-1,3-thiazol-2-yl)acetic acid

2-(4-methylsulfanyl-1,3-thiazol-2-yl)acetic acid (PubChem CID 141307632) has the molecular formula C6H7NO2S2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(4-methylsulfanyl-1,3-thiazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methylsulfanyl-1,3-thiazol-2-yl)acetic acid
PubChem CID141307632
Molecular FormulaC6H7NO2S2
Molecular Weight189.26 g/mol
Exact Mass188.99
IUPAC Name2-(4-methylsulfanyl-1,3-thiazol-2-yl)acetic acid
SMILESCSc1csc(CC(=O)O)n1
InChIInChI=1S/C6H7NO2S2/c1-10-5-3-11-4(7-5)2-6(8)9/h3H,2H2,1H3,(H,8,9)
InChIKeyILJIURNLYPQOON-UHFFFAOYSA-N
XLogP1.49
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanyl-1,3-thiazol-2-yl)acetic acid?
The IUPAC name of 2-(4-methylsulfanyl-1,3-thiazol-2-yl)acetic acid (CID 141307632) is 2-(4-methylsulfanyl-1,3-thiazol-2-yl)acetic acid.
What is the SMILES notation for 2-(4-methylsulfanyl-1,3-thiazol-2-yl)acetic acid?
The canonical SMILES for 2-(4-methylsulfanyl-1,3-thiazol-2-yl)acetic acid is CSc1csc(CC(=O)O)n1.
What is the InChIKey of 2-(4-methylsulfanyl-1,3-thiazol-2-yl)acetic acid?
The InChIKey is ILJIURNLYPQOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S2/c1-10-5-3-11-4(7-5)2-6(8)9/h3H,2H2,1H3,(H,8,9).
What are the key properties of 2-(4-methylsulfanyl-1,3-thiazol-2-yl)acetic acid?
2-(4-methylsulfanyl-1,3-thiazol-2-yl)acetic acid has a molecular weight of 189.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanyl-1,3-thiazol-2-yl)acetic acid is sourced from PubChem (CID 141307632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).