3-(1,3-thiazol-2-yl)benzoic acid

C10H7NO2S — CID 21075087

IUPAC3-(1,3-thiazol-2-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2nccs2)c1
InChIInChI=1S/C10H7NO2S/c12-10(13)8-3-1-2-7(6-8)9-11-4-5-14-9/h1-6H,(H,12,13)
InChIKeyBLFSSABBFANDKK-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.51
Rot. Bonds2

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

3-(1,3-thiazol-2-yl)benzoic acid (PubChem CID 21075087) has the molecular formula C10H7NO2S and a molecular weight of 205.24 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)benzoic acid.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)benzoic acid
PubChem CID21075087
Molecular FormulaC10H7NO2S
Molecular Weight205.24 g/mol
Exact Mass205.02
IUPAC Name3-(1,3-thiazol-2-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2nccs2)c1
InChIInChI=1S/C10H7NO2S/c12-10(13)8-3-1-2-7(6-8)9-11-4-5-14-9/h1-6H,(H,12,13)
InChIKeyBLFSSABBFANDKK-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 3-(1,3-thiazol-2-yl)benzoic acid?
The IUPAC name of 3-(1,3-thiazol-2-yl)benzoic acid (CID 21075087) is 3-(1,3-thiazol-2-yl)benzoic acid.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)benzoic acid?
The canonical SMILES for 3-(1,3-thiazol-2-yl)benzoic acid is O=C(O)c1cccc(-c2nccs2)c1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)benzoic acid?
The InChIKey is BLFSSABBFANDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S/c12-10(13)8-3-1-2-7(6-8)9-11-4-5-14-9/h1-6H,(H,12,13).
What are the key properties of 3-(1,3-thiazol-2-yl)benzoic acid?
3-(1,3-thiazol-2-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 3-(1,3-thiazol-2-yl)benzoic acid is sourced from PubChem (CID 21075087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).