ethyl 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetate

C9H12N2O3S2 — CID 5329660

IUPACethyl 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetate
SMILESCCOC(=O)CSc1cnc(NC(C)=O)s1
InChIInChI=1S/C9H12N2O3S2/c1-3-14-7(13)5-15-8-4-10-9(16-8)11-6(2)12/h4H,3,5H2,1-2H3,(H,10,11,12)
InChIKeyGGSRHUNACTWBRD-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.76
Rot. Bonds5

About ethyl 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetate

ethyl 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetate (PubChem CID 5329660) has the molecular formula C9H12N2O3S2 and a molecular weight of 260.34 g/mol. Its IUPAC name is ethyl 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetate
PubChem CID5329660
Molecular FormulaC9H12N2O3S2
Molecular Weight260.34 g/mol
Exact Mass260.03
IUPAC Nameethyl 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetate
SMILESCCOC(=O)CSc1cnc(NC(C)=O)s1
InChIInChI=1S/C9H12N2O3S2/c1-3-14-7(13)5-15-8-4-10-9(16-8)11-6(2)12/h4H,3,5H2,1-2H3,(H,10,11,12)
InChIKeyGGSRHUNACTWBRD-UHFFFAOYSA-N
XLogP1.76
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetate?
The IUPAC name of ethyl 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetate (CID 5329660) is ethyl 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetate.
What is the SMILES notation for ethyl 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetate?
The canonical SMILES for ethyl 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetate is CCOC(=O)CSc1cnc(NC(C)=O)s1.
What is the InChIKey of ethyl 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetate?
The InChIKey is GGSRHUNACTWBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S2/c1-3-14-7(13)5-15-8-4-10-9(16-8)11-6(2)12/h4H,3,5H2,1-2H3,(H,10,11,12).
What are the key properties of ethyl 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetate?
ethyl 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetate has a molecular weight of 260.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetate is sourced from PubChem (CID 5329660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).