4-(2-fluoroethyl)-1,3-thiazole-5-carboxylic acid

C6H6FNO2S — CID 57214623

IUPAC4-(2-fluoroethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1scnc1CCF
InChIInChI=1S/C6H6FNO2S/c7-2-1-4-5(6(9)10)11-3-8-4/h3H,1-2H2,(H,9,10)
InChIKeyYJBHROPOSPEJCO-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.35
Rot. Bonds3

About 4-(2-fluoroethyl)-1,3-thiazole-5-carboxylic acid

4-(2-fluoroethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 57214623) has the molecular formula C6H6FNO2S and a molecular weight of 175.18 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluoroethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID57214623
Molecular FormulaC6H6FNO2S
Molecular Weight175.18 g/mol
Exact Mass175.01
IUPAC Name4-(2-fluoroethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1scnc1CCF
InChIInChI=1S/C6H6FNO2S/c7-2-1-4-5(6(9)10)11-3-8-4/h3H,1-2H2,(H,9,10)
InChIKeyYJBHROPOSPEJCO-UHFFFAOYSA-N
XLogP1.35
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methylthiazole-5-carboxylic acid
CID 209805
4-Cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 71695492
4-(Propan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 13015604
4-Tert-butyl-1,3-thiazole-5-carboxylic acid
CID 13015605
4-Ethyl-2-methyl-1,3-thiazole-5-carboxylic acid
CID 14648765
4-Ethyl-1,3-thiazole-5-carboxylic acid
CID 14653144
4-(Trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 18943373
5-Thiazolecarboxylic acid, 2-bromo-4-ethyl-
CID 22411065
5-Ethyl-1,3-thiazole-4-carboxylic acid
CID 45121702
5-Thiazolecarboxylic acid, 4-(difluoromethyl)-
CID 126455181
5-Acetyl-1,3-thiazole-4-carboxylic acid
CID 82378039
2-Fluoro-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 19885487

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(2-fluoroethyl)-1,3-thiazole-5-carboxylic acid (CID 57214623) is 4-(2-fluoroethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(2-fluoroethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(2-fluoroethyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1scnc1CCF.
What is the InChIKey of 4-(2-fluoroethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is YJBHROPOSPEJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO2S/c7-2-1-4-5(6(9)10)11-3-8-4/h3H,1-2H2,(H,9,10).
What are the key properties of 4-(2-fluoroethyl)-1,3-thiazole-5-carboxylic acid?
4-(2-fluoroethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 175.18 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 57214623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).