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

C8H10FNO2S — CID 67486404

IUPACethyl 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]acetate
SMILESCCOC(=O)Cc1nc(CF)cs1
InChIInChI=1S/C8H10FNO2S/c1-2-12-8(11)3-7-10-6(4-9)5-13-7/h5H,2-4H2,1H3
InChIKeyOCLRCSMWZRXFAI-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.72
Rot. Bonds4

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

ethyl 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]acetate (PubChem CID 67486404) has the molecular formula C8H10FNO2S and a molecular weight of 203.24 g/mol. Its IUPAC name is ethyl 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]acetate
PubChem CID67486404
Molecular FormulaC8H10FNO2S
Molecular Weight203.24 g/mol
Exact Mass203.04
IUPAC Nameethyl 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]acetate
SMILESCCOC(=O)Cc1nc(CF)cs1
InChIInChI=1S/C8H10FNO2S/c1-2-12-8(11)3-7-10-6(4-9)5-13-7/h5H,2-4H2,1H3
InChIKeyOCLRCSMWZRXFAI-UHFFFAOYSA-N
XLogP1.72
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 574575
Methyl 2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 7130900
Ethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate
CID 43535917
Tert-butyl 2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 45792271
Sodium 2-(4-methyl-1,3-thiazol-2-yl)propanoate
CID 119031038
Ethyl (2-methyl-1,3-thiazol-4-yl)acetate
CID 854815
2-(4-Methylthiazol-2-yl)acetic acid
CID 4011301
Propan-2-yl 2-(4-(chloromethyl)-1,3-thiazol-2-yl)acetate
CID 16776892
Methyl 2-(4-tert-butyl-1,3-thiazol-2-yl)acetate
CID 47002683
Sodium 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate
CID 50987248
Potassium 2-fluoro-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 75480791
Ethyl 2-oxo-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate
CID 165914396

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]acetate?
The IUPAC name of ethyl 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]acetate (CID 67486404) is ethyl 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]acetate is CCOC(=O)Cc1nc(CF)cs1.
What is the InChIKey of ethyl 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]acetate?
The InChIKey is OCLRCSMWZRXFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2S/c1-2-12-8(11)3-7-10-6(4-9)5-13-7/h5H,2-4H2,1H3.
What are the key properties of ethyl 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]acetate?
ethyl 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]acetate has a molecular weight of 203.24 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]acetate is sourced from PubChem (CID 67486404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).