potassium 4-phenyl-1,3-thiazole-2-carboxylate

C10H6KNO2S — CID 59635440

IUPACpotassium 4-phenyl-1,3-thiazole-2-carboxylate
SMILESO=C([O-])c1nc(-c2ccccc2)cs1.[K+]
InChIInChI=1S/C10H7NO2S.K/c12-10(13)9-11-8(6-14-9)7-4-2-1-3-5-7;/h1-6H,(H,12,13);/q;+1/p-1
InChIKeyOJRGBEPCSXHTJI-UHFFFAOYSA-M
MW243.33 g/mol
LogP-1.82
Rot. Bonds2

About potassium 4-phenyl-1,3-thiazole-2-carboxylate

potassium 4-phenyl-1,3-thiazole-2-carboxylate (PubChem CID 59635440) has the molecular formula C10H6KNO2S and a molecular weight of 243.33 g/mol. Its IUPAC name is potassium 4-phenyl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namepotassium 4-phenyl-1,3-thiazole-2-carboxylate
PubChem CID59635440
Molecular FormulaC10H6KNO2S
Molecular Weight243.33 g/mol
Exact Mass242.98
IUPAC Namepotassium 4-phenyl-1,3-thiazole-2-carboxylate
SMILESO=C([O-])c1nc(-c2ccccc2)cs1.[K+]
InChIInChI=1S/C10H7NO2S.K/c12-10(13)9-11-8(6-14-9)7-4-2-1-3-5-7;/h1-6H,(H,12,13);/q;+1/p-1
InChIKeyOJRGBEPCSXHTJI-UHFFFAOYSA-M
XLogP-1.82
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 5-1.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of potassium 4-phenyl-1,3-thiazole-2-carboxylate?
The IUPAC name of potassium 4-phenyl-1,3-thiazole-2-carboxylate (CID 59635440) is potassium 4-phenyl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for potassium 4-phenyl-1,3-thiazole-2-carboxylate?
The canonical SMILES for potassium 4-phenyl-1,3-thiazole-2-carboxylate is O=C([O-])c1nc(-c2ccccc2)cs1.[K+].
What is the InChIKey of potassium 4-phenyl-1,3-thiazole-2-carboxylate?
The InChIKey is OJRGBEPCSXHTJI-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H7NO2S.K/c12-10(13)9-11-8(6-14-9)7-4-2-1-3-5-7;/h1-6H,(H,12,13);/q;+1/p-1.
What are the key properties of potassium 4-phenyl-1,3-thiazole-2-carboxylate?
potassium 4-phenyl-1,3-thiazole-2-carboxylate has a molecular weight of 243.33 g/mol, XLogP of -1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-phenyl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 59635440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).