5-(fluoromethyl)-1,3-thiazole-4-carboxylic acid

C5H4FNO2S — CID 89274891

IUPAC5-(fluoromethyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1CF
InChIInChI=1S/C5H4FNO2S/c6-1-3-4(5(8)9)7-2-10-3/h2H,1H2,(H,8,9)
InChIKeyBVLXFCHTHIJELJ-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.31
Rot. Bonds2

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

5-(fluoromethyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 89274891) has the molecular formula C5H4FNO2S and a molecular weight of 161.16 g/mol. Its IUPAC name is 5-(fluoromethyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(fluoromethyl)-1,3-thiazole-4-carboxylic acid
PubChem CID89274891
Molecular FormulaC5H4FNO2S
Molecular Weight161.16 g/mol
Exact Mass160.99
IUPAC Name5-(fluoromethyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1CF
InChIInChI=1S/C5H4FNO2S/c6-1-3-4(5(8)9)7-2-10-3/h2H,1H2,(H,8,9)
InChIKeyBVLXFCHTHIJELJ-UHFFFAOYSA-N
XLogP1.31
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methylthiazole-5-carboxylic acid
CID 209805
Dimethyl-1,3-thiazole-4-carboxylic acid
CID 13835313
5-Methyl-1,3-thiazole-4-carboxylic acid
CID 14109320
4-(Trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 18943373
5-(Trifluoromethyl)-1,3-thiazole-4-carboxylic acid
CID 28875573
Methyl 5-methylthiazole-4-carboxylate
CID 37818647
5-Ethyl-1,3-thiazole-4-carboxylic acid
CID 45121702
2-Bromo-5-methyl-1,3-thiazole-4-carboxylic acid
CID 53445893
2-Chloro-5-methyl-1,3-thiazole-4-carboxylic acid
CID 67111136
5-Methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
CID 112639649
Thiazole-4,5-dicarboxylic acid
CID 193584
Dimethyl-1,3-thiazole-4-carboxylic acid hydrochloride
CID 75525677

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(fluoromethyl)-1,3-thiazole-4-carboxylic acid (CID 89274891) is 5-(fluoromethyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(fluoromethyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(fluoromethyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1CF.
What is the InChIKey of 5-(fluoromethyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is BVLXFCHTHIJELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNO2S/c6-1-3-4(5(8)9)7-2-10-3/h2H,1H2,(H,8,9).
What are the key properties of 5-(fluoromethyl)-1,3-thiazole-4-carboxylic acid?
5-(fluoromethyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 161.16 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 89274891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).