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

C6H6ClNO2S — CID 57146915

IUPAC2-chloro-5-ethyl-1,3-thiazole-4-carboxylic acid
SMILESCCc1sc(Cl)nc1C(=O)O
InChIInChI=1S/C6H6ClNO2S/c1-2-3-4(5(9)10)8-6(7)11-3/h2H2,1H3,(H,9,10)
InChIKeyRVBBBKNEWQFTQF-UHFFFAOYSA-N
MW191.64 g/mol
LogP2.06
Rot. Bonds2

About 2-chloro-5-ethyl-1,3-thiazole-4-carboxylic acid

2-chloro-5-ethyl-1,3-thiazole-4-carboxylic acid (PubChem CID 57146915) has the molecular formula C6H6ClNO2S and a molecular weight of 191.64 g/mol. Its IUPAC name is 2-chloro-5-ethyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-ethyl-1,3-thiazole-4-carboxylic acid
PubChem CID57146915
Molecular FormulaC6H6ClNO2S
Molecular Weight191.64 g/mol
Exact Mass190.98
IUPAC Name2-chloro-5-ethyl-1,3-thiazole-4-carboxylic acid
SMILESCCc1sc(Cl)nc1C(=O)O
InChIInChI=1S/C6H6ClNO2S/c1-2-3-4(5(9)10)8-6(7)11-3/h2H2,1H3,(H,9,10)
InChIKeyRVBBBKNEWQFTQF-UHFFFAOYSA-N
XLogP2.06
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.64
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-chloro-5-ethyl-1,3-thiazole-4-carboxylic acid (CID 57146915) is 2-chloro-5-ethyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-chloro-5-ethyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-chloro-5-ethyl-1,3-thiazole-4-carboxylic acid is CCc1sc(Cl)nc1C(=O)O.
What is the InChIKey of 2-chloro-5-ethyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is RVBBBKNEWQFTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2S/c1-2-3-4(5(9)10)8-6(7)11-3/h2H2,1H3,(H,9,10).
What are the key properties of 2-chloro-5-ethyl-1,3-thiazole-4-carboxylic acid?
2-chloro-5-ethyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 191.64 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 57146915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).