2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

C6H6NO3S- — CID 2468237

IUPAC2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)[O-]
InChIInChI=1S/C6H7NO3S/c1-4-3-11-6(10)7(4)2-5(8)9/h3H,2H2,1H3,(H,8,9)/p-1
InChIKeyRUXSNFPDNUJKLO-UHFFFAOYSA-M
MW172.19 g/mol
LogP-1.03
Rot. Bonds2

About 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 2468237) has the molecular formula C6H6NO3S- and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID2468237
Molecular FormulaC6H6NO3S-
Molecular Weight172.19 g/mol
Exact Mass172.01
IUPAC Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)[O-]
InChIInChI=1S/C6H7NO3S/c1-4-3-11-6(10)7(4)2-5(8)9/h3H,2H2,1H3,(H,8,9)/p-1
InChIKeyRUXSNFPDNUJKLO-UHFFFAOYSA-M
XLogP-1.03
TPSA62.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-1.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (CID 2468237) is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is Cc1csc(=O)n1CC(=O)[O-].
What is the InChIKey of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is RUXSNFPDNUJKLO-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7NO3S/c1-4-3-11-6(10)7(4)2-5(8)9/h3H,2H2,1H3,(H,8,9)/p-1.
What are the key properties of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 172.19 g/mol, XLogP of -1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 2468237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).