ethyl 2-(1,3-thiazol-2-ylsulfanyl)acetate

C7H9NO2S2 — CID 60658748

IUPACethyl 2-(1,3-thiazol-2-ylsulfanyl)acetate
SMILESCCOC(=O)CSc1nccs1
InChIInChI=1S/C7H9NO2S2/c1-2-10-6(9)5-12-7-8-3-4-11-7/h3-4H,2,5H2,1H3
InChIKeyLEMBTFLKBWNQMX-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.80
Rot. Bonds4

About ethyl 2-(1,3-thiazol-2-ylsulfanyl)acetate

ethyl 2-(1,3-thiazol-2-ylsulfanyl)acetate (PubChem CID 60658748) has the molecular formula C7H9NO2S2 and a molecular weight of 203.29 g/mol. Its IUPAC name is ethyl 2-(1,3-thiazol-2-ylsulfanyl)acetate.

Molecular Properties

Compound Nameethyl 2-(1,3-thiazol-2-ylsulfanyl)acetate
PubChem CID60658748
Molecular FormulaC7H9NO2S2
Molecular Weight203.29 g/mol
Exact Mass203.01
IUPAC Nameethyl 2-(1,3-thiazol-2-ylsulfanyl)acetate
SMILESCCOC(=O)CSc1nccs1
InChIInChI=1S/C7H9NO2S2/c1-2-10-6(9)5-12-7-8-3-4-11-7/h3-4H,2,5H2,1H3
InChIKeyLEMBTFLKBWNQMX-UHFFFAOYSA-N
XLogP1.80
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanone
CID 61219522
1-O-ethyl 3-O-(1,3-thiazol-2-yl) propanedioate
CID 174640375
ethyl 2-[[5-(2-ethoxy-2-oxoethyl)sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]acetate
CID 23760788
2-(1,3-thiazol-2-ylsulfanyl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 61220278
ethyl 2-pyridin-2-ylsulfanylacetate
CID 6464675
ethyl 4,5-dioxo-3-(1,3-thiazol-2-ylsulfanyl)-2-(1,3-thiazol-2-ylsulfanylmethyl)oxolane-2-carboxylate
CID 91227566
methyl 2-amino-4-(1,3-thiazol-2-ylsulfanyl)butanoate
CID 63034527
ethyl 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetate
CID 79421858
methyl 2-[2-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]acetate
CID 113314363
N,N-bis(2-cyanoethyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide
CID 47365109
ethyl 2-thiophen-3-ylsulfanylacetate
CID 13099962
ethyl 2-[(4-chloro-2-pyridinyl)sulfanyl]acetate
CID 71304250

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-thiazol-2-ylsulfanyl)acetate?
The IUPAC name of ethyl 2-(1,3-thiazol-2-ylsulfanyl)acetate (CID 60658748) is ethyl 2-(1,3-thiazol-2-ylsulfanyl)acetate.
What is the SMILES notation for ethyl 2-(1,3-thiazol-2-ylsulfanyl)acetate?
The canonical SMILES for ethyl 2-(1,3-thiazol-2-ylsulfanyl)acetate is CCOC(=O)CSc1nccs1.
What is the InChIKey of ethyl 2-(1,3-thiazol-2-ylsulfanyl)acetate?
The InChIKey is LEMBTFLKBWNQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S2/c1-2-10-6(9)5-12-7-8-3-4-11-7/h3-4H,2,5H2,1H3.
What are the key properties of ethyl 2-(1,3-thiazol-2-ylsulfanyl)acetate?
ethyl 2-(1,3-thiazol-2-ylsulfanyl)acetate has a molecular weight of 203.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-thiazol-2-ylsulfanyl)acetate is sourced from PubChem (CID 60658748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).