5-ethyl-1,3-thiazole-2-carboxylic acid

C6H7NO2S — CID 20775014

IUPAC5-ethyl-1,3-thiazole-2-carboxylic acid
SMILESCCc1cnc(C(=O)O)s1
InChIInChI=1S/C6H7NO2S/c1-2-4-3-7-5(10-4)6(8)9/h3H,2H2,1H3,(H,8,9)
InChIKeyRNPLRYOXDQXYCM-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.40
Rot. Bonds2

About 5-ethyl-1,3-thiazole-2-carboxylic acid

5-ethyl-1,3-thiazole-2-carboxylic acid (PubChem CID 20775014) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 5-ethyl-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1,3-thiazole-2-carboxylic acid
PubChem CID20775014
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name5-ethyl-1,3-thiazole-2-carboxylic acid
SMILESCCc1cnc(C(=O)O)s1
InChIInChI=1S/C6H7NO2S/c1-2-4-3-7-5(10-4)6(8)9/h3H,2H2,1H3,(H,8,9)
InChIKeyRNPLRYOXDQXYCM-UHFFFAOYSA-N
XLogP1.40
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-1,3-thiazole-2-carboxylic acid
CID 21877349
Ethyl 5-ethyl-1,3-thiazole-2-carboxylate
CID 20775037
5-Ethyl-1,3-thiazole-2-carbaldehyde
CID 45083407
(5-Ethyl-1,3-thiazol-2-yl)methanol
CID 62924313
5-Isopropylthiazole-2-carboxylic acid, lithium salt
CID 73554514
Lithium(1+) ion 5-ethyl-1,3-thiazole-2-carboxylate
CID 75480690
Potassium 5-(2-hydroxypropan-2-yl)thiazole-2-carboxylate
CID 170915093
Lithium 5-cyclopropylthiazole-2-carboxylate
CID 177800170
Methyl 5-methylthiazole-2-carboxylate
CID 817034
1-(5-Ethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanone
CID 59059063
5-(2,2,2-Trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid
CID 67315405
5-(Difluoromethyl)-1,3-thiazole-2-carboxylic acid
CID 84656749

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 5-ethyl-1,3-thiazole-2-carboxylic acid (CID 20775014) is 5-ethyl-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 5-ethyl-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 5-ethyl-1,3-thiazole-2-carboxylic acid is CCc1cnc(C(=O)O)s1.
What is the InChIKey of 5-ethyl-1,3-thiazole-2-carboxylic acid?
The InChIKey is RNPLRYOXDQXYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-2-4-3-7-5(10-4)6(8)9/h3H,2H2,1H3,(H,8,9).
What are the key properties of 5-ethyl-1,3-thiazole-2-carboxylic acid?
5-ethyl-1,3-thiazole-2-carboxylic acid has a molecular weight of 157.19 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 20775014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).