4-phenyl-1,3-thiazole-2-carboxylic acid

C10H7NO2S — CID 3878539

IUPAC4-phenyl-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C10H7NO2S/c12-10(13)9-11-8(6-14-9)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChIKeyORSGNNVYFOPYKB-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.51
Rot. Bonds2

About 4-phenyl-1,3-thiazole-2-carboxylic acid

4-phenyl-1,3-thiazole-2-carboxylic acid (PubChem CID 3878539) has the molecular formula C10H7NO2S and a molecular weight of 205.24 g/mol. Its IUPAC name is 4-phenyl-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-1,3-thiazole-2-carboxylic acid
PubChem CID3878539
Molecular FormulaC10H7NO2S
Molecular Weight205.24 g/mol
Exact Mass205.02
IUPAC Name4-phenyl-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C10H7NO2S/c12-10(13)9-11-8(6-14-9)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChIKeyORSGNNVYFOPYKB-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-phenyl-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-phenyl-1,3-thiazole-2-carboxylic acid (CID 3878539) is 4-phenyl-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-phenyl-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-phenyl-1,3-thiazole-2-carboxylic acid is O=C(O)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-phenyl-1,3-thiazole-2-carboxylic acid?
The InChIKey is ORSGNNVYFOPYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S/c12-10(13)9-11-8(6-14-9)7-4-2-1-3-5-7/h1-6H,(H,12,13).
What are the key properties of 4-phenyl-1,3-thiazole-2-carboxylic acid?
4-phenyl-1,3-thiazole-2-carboxylic 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-phenyl-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 3878539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).