ethyl 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetate

C8H12N2O4S2 — CID 3145078

IUPACethyl 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(C)(=O)=O)n1
InChIInChI=1S/C8H12N2O4S2/c1-3-14-7(11)4-6-5-15-8(9-6)10-16(2,12)13/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyLRVKRWBZGGSQIP-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.62
Rot. Bonds5

About ethyl 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetate (PubChem CID 3145078) has the molecular formula C8H12N2O4S2 and a molecular weight of 264.33 g/mol. Its IUPAC name is ethyl 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetate
PubChem CID3145078
Molecular FormulaC8H12N2O4S2
Molecular Weight264.33 g/mol
Exact Mass264.02
IUPAC Nameethyl 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(C)(=O)=O)n1
InChIInChI=1S/C8H12N2O4S2/c1-3-14-7(11)4-6-5-15-8(9-6)10-16(2,12)13/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyLRVKRWBZGGSQIP-UHFFFAOYSA-N
XLogP0.62
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetate (CID 3145078) is ethyl 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NS(C)(=O)=O)n1.
What is the InChIKey of ethyl 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetate?
The InChIKey is LRVKRWBZGGSQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S2/c1-3-14-7(11)4-6-5-15-8(9-6)10-16(2,12)13/h5H,3-4H2,1-2H3,(H,9,10).
What are the key properties of ethyl 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetate has a molecular weight of 264.33 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 3145078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).