4-(1,3-thiazol-4-yl)benzoic acid

C10H7NO2S — CID 43314757

IUPAC4-(1,3-thiazol-4-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2cscn2)cc1
InChIInChI=1S/C10H7NO2S/c12-10(13)8-3-1-7(2-4-8)9-5-14-6-11-9/h1-6H,(H,12,13)
InChIKeyDJJLKDMESZPSAM-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.51
Rot. Bonds2

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

4-(1,3-thiazol-4-yl)benzoic acid (PubChem CID 43314757) has the molecular formula C10H7NO2S and a molecular weight of 205.24 g/mol. Its IUPAC name is 4-(1,3-thiazol-4-yl)benzoic acid.

Molecular Properties

Compound Name4-(1,3-thiazol-4-yl)benzoic acid
PubChem CID43314757
Molecular FormulaC10H7NO2S
Molecular Weight205.24 g/mol
Exact Mass205.02
IUPAC Name4-(1,3-thiazol-4-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2cscn2)cc1
InChIInChI=1S/C10H7NO2S/c12-10(13)8-3-1-7(2-4-8)9-5-14-6-11-9/h1-6H,(H,12,13)
InChIKeyDJJLKDMESZPSAM-UHFFFAOYSA-N
XLogP2.51
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-4-yl)benzoic acid?
The IUPAC name of 4-(1,3-thiazol-4-yl)benzoic acid (CID 43314757) is 4-(1,3-thiazol-4-yl)benzoic acid.
What is the SMILES notation for 4-(1,3-thiazol-4-yl)benzoic acid?
The canonical SMILES for 4-(1,3-thiazol-4-yl)benzoic acid is O=C(O)c1ccc(-c2cscn2)cc1.
What is the InChIKey of 4-(1,3-thiazol-4-yl)benzoic acid?
The InChIKey is DJJLKDMESZPSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S/c12-10(13)8-3-1-7(2-4-8)9-5-14-6-11-9/h1-6H,(H,12,13).
What are the key properties of 4-(1,3-thiazol-4-yl)benzoic acid?
4-(1,3-thiazol-4-yl)benzoic acid has a molecular weight of 205.24 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-4-yl)benzoic acid is sourced from PubChem (CID 43314757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).