ethyl 2-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate

C8H10FNO2S2 — CID 79357336

IUPACethyl 2-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate
SMILESCCOC(=O)C(F)Sc1nc(C)cs1
InChIInChI=1S/C8H10FNO2S2/c1-3-12-7(11)6(9)14-8-10-5(2)4-13-8/h4,6H,3H2,1-2H3
InChIKeyHHMBNJAJJTWXQA-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.40
Rot. Bonds4

About ethyl 2-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate

ethyl 2-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate (PubChem CID 79357336) has the molecular formula C8H10FNO2S2 and a molecular weight of 235.30 g/mol. Its IUPAC name is ethyl 2-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate
PubChem CID79357336
Molecular FormulaC8H10FNO2S2
Molecular Weight235.30 g/mol
Exact Mass235.01
IUPAC Nameethyl 2-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate
SMILESCCOC(=O)C(F)Sc1nc(C)cs1
InChIInChI=1S/C8H10FNO2S2/c1-3-12-7(11)6(9)14-8-10-5(2)4-13-8/h4,6H,3H2,1-2H3
InChIKeyHHMBNJAJJTWXQA-UHFFFAOYSA-N
XLogP2.40
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate?
The IUPAC name of ethyl 2-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate (CID 79357336) is ethyl 2-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate.
What is the SMILES notation for ethyl 2-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate?
The canonical SMILES for ethyl 2-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate is CCOC(=O)C(F)Sc1nc(C)cs1.
What is the InChIKey of ethyl 2-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate?
The InChIKey is HHMBNJAJJTWXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2S2/c1-3-12-7(11)6(9)14-8-10-5(2)4-13-8/h4,6H,3H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate?
ethyl 2-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate has a molecular weight of 235.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate is sourced from PubChem (CID 79357336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).