4-(5-ethyl-1,3-thiazol-2-yl)benzoic acid

C12H11NO2S — CID 62651340

IUPAC4-(5-ethyl-1,3-thiazol-2-yl)benzoic acid
SMILESCCc1cnc(-c2ccc(C(=O)O)cc2)s1
InChIInChI=1S/C12H11NO2S/c1-2-10-7-13-11(16-10)8-3-5-9(6-4-8)12(14)15/h3-7H,2H2,1H3,(H,14,15)
InChIKeyDWPOASWAUZCBQT-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.07
Rot. Bonds3

About 4-(5-ethyl-1,3-thiazol-2-yl)benzoic acid

4-(5-ethyl-1,3-thiazol-2-yl)benzoic acid (PubChem CID 62651340) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 4-(5-ethyl-1,3-thiazol-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(5-ethyl-1,3-thiazol-2-yl)benzoic acid
PubChem CID62651340
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name4-(5-ethyl-1,3-thiazol-2-yl)benzoic acid
SMILESCCc1cnc(-c2ccc(C(=O)O)cc2)s1
InChIInChI=1S/C12H11NO2S/c1-2-10-7-13-11(16-10)8-3-5-9(6-4-8)12(14)15/h3-7H,2H2,1H3,(H,14,15)
InChIKeyDWPOASWAUZCBQT-UHFFFAOYSA-N
XLogP3.07
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1,3-thiazol-2-yl)benzoic acid?
The IUPAC name of 4-(5-ethyl-1,3-thiazol-2-yl)benzoic acid (CID 62651340) is 4-(5-ethyl-1,3-thiazol-2-yl)benzoic acid.
What is the SMILES notation for 4-(5-ethyl-1,3-thiazol-2-yl)benzoic acid?
The canonical SMILES for 4-(5-ethyl-1,3-thiazol-2-yl)benzoic acid is CCc1cnc(-c2ccc(C(=O)O)cc2)s1.
What is the InChIKey of 4-(5-ethyl-1,3-thiazol-2-yl)benzoic acid?
The InChIKey is DWPOASWAUZCBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-2-10-7-13-11(16-10)8-3-5-9(6-4-8)12(14)15/h3-7H,2H2,1H3,(H,14,15).
What are the key properties of 4-(5-ethyl-1,3-thiazol-2-yl)benzoic acid?
4-(5-ethyl-1,3-thiazol-2-yl)benzoic acid has a molecular weight of 233.29 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1,3-thiazol-2-yl)benzoic acid is sourced from PubChem (CID 62651340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).