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

C6H7NO2S — CID 39235458

IUPAC4-ethyl-1,3-thiazole-2-carboxylic acid
SMILESCCc1csc(C(=O)O)n1
InChIInChI=1S/C6H7NO2S/c1-2-4-3-10-5(7-4)6(8)9/h3H,2H2,1H3,(H,8,9)
InChIKeyGHICAGCEAUSFFV-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.40
Rot. Bonds2

About 4-ethyl-1,3-thiazole-2-carboxylic acid

4-ethyl-1,3-thiazole-2-carboxylic acid (PubChem CID 39235458) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 4-ethyl-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1,3-thiazole-2-carboxylic acid
PubChem CID39235458
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name4-ethyl-1,3-thiazole-2-carboxylic acid
SMILESCCc1csc(C(=O)O)n1
InChIInChI=1S/C6H7NO2S/c1-2-4-3-10-5(7-4)6(8)9/h3H,2H2,1H3,(H,8,9)
InChIKeyGHICAGCEAUSFFV-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

4-(methylsulfanylmethyl)-1,3-thiazole-2-carboxylic acid
CID 61024778
4-(methylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid
CID 61023178
4-[(hydroxyamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103282713
4-(pentylsulfinylmethyl)-1,3-thiazole-2-carboxylic acid
CID 107753153
4-(pyrazol-1-ylmethyl)-1,3-thiazole-2-carboxylic acid
CID 43664440
4-(azetidin-1-ylmethyl)-1,3-thiazole-2-carboxylic acid
CID 130547609
4-[(hexan-3-ylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103248470
4-(3-methylbutan-2-ylsulfinylmethyl)-1,3-thiazole-2-carboxylic acid
CID 107753232
4-[[(2-methylpropan-2-yl)oxyamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103261428
4-(3-methylbutylsulfanylmethyl)-1,3-thiazole-2-carboxylic acid
CID 107746403
4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103256731
4-[[1-(4-ethylphenyl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103241787

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-ethyl-1,3-thiazole-2-carboxylic acid (CID 39235458) is 4-ethyl-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1,3-thiazole-2-carboxylic acid is CCc1csc(C(=O)O)n1.
What is the InChIKey of 4-ethyl-1,3-thiazole-2-carboxylic acid?
The InChIKey is GHICAGCEAUSFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-2-4-3-10-5(7-4)6(8)9/h3H,2H2,1H3,(H,8,9).
What are the key properties of 4-ethyl-1,3-thiazole-2-carboxylic acid?
4-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 4-ethyl-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 39235458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).