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

C6H7NO2S — CID 45121702

IUPAC5-ethyl-1,3-thiazole-4-carboxylic acid
SMILESCCc1scnc1C(=O)O
InChIInChI=1S/C6H7NO2S/c1-2-4-5(6(8)9)7-3-10-4/h3H,2H2,1H3,(H,8,9)
InChIKeyQIQDSRGAGHUIID-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.40
Rot. Bonds2

About 5-ethyl-1,3-thiazole-4-carboxylic acid

5-ethyl-1,3-thiazole-4-carboxylic acid (PubChem CID 45121702) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 5-ethyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1,3-thiazole-4-carboxylic acid
PubChem CID45121702
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name5-ethyl-1,3-thiazole-4-carboxylic acid
SMILESCCc1scnc1C(=O)O
InChIInChI=1S/C6H7NO2S/c1-2-4-5(6(8)9)7-3-10-4/h3H,2H2,1H3,(H,8,9)
InChIKeyQIQDSRGAGHUIID-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

2-Chloro-5-(propan-2-yl)-1,3-thiazole-4-carboxylic acid
CID 2764077
4-(Propan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 13015604
5-Methyl-1,3-thiazole-4-carboxylic acid
CID 14109320
4-Ethyl-1,3-thiazole-5-carboxylic acid
CID 14653144
5-(1-Methylethyl)-4-thiazolecarboxylic acid
CID 22573054
2-Chloro-5-ethyl-1,3-thiazole-4-carboxylic acid
CID 57146915
5-Cyclopropyl-1,3-thiazole-4-carboxylic acid
CID 82412846
Methyl 5-isopropylthiazole-4-carboxylate
CID 13015587
5-Acetyl-2-methyl-1,3-thiazole-4-carboxylic acid
CID 58356418
5-Acetyl-1,3-thiazole-4-carboxylic acid
CID 82378039
4-(2-Fluoroethyl)-1,3-thiazole-5-carboxylic acid
CID 57214623
5-(Fluoromethyl)-1,3-thiazole-4-carboxylic acid
CID 89274891

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-ethyl-1,3-thiazole-4-carboxylic acid (CID 45121702) is 5-ethyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-ethyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-ethyl-1,3-thiazole-4-carboxylic acid is CCc1scnc1C(=O)O.
What is the InChIKey of 5-ethyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is QIQDSRGAGHUIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-2-4-5(6(8)9)7-3-10-4/h3H,2H2,1H3,(H,8,9).
What are the key properties of 5-ethyl-1,3-thiazole-4-carboxylic acid?
5-ethyl-1,3-thiazole-4-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-4-carboxylic acid is sourced from PubChem (CID 45121702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).