potassium 5-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-2-olate

C11H8FKN2O3S — CID 23696711

IUPACpotassium 5-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-2-olate
SMILESO=C(CC1SC([O-])=NC1=O)Nc1ccc(F)cc1.[K+]
InChIInChI=1S/C11H9FN2O3S.K/c12-6-1-3-7(4-2-6)13-9(15)5-8-10(16)14-11(17)18-8;/h1-4,8H,5H2,(H,13,15)(H,14,16,17);/q;+1/p-1
InChIKeyFTLORHLIERUWKT-UHFFFAOYSA-M
MW306.36 g/mol
LogP-2.48
Rot. Bonds3

About potassium 5-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-2-olate

potassium 5-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-2-olate (PubChem CID 23696711) has the molecular formula C11H8FKN2O3S and a molecular weight of 306.36 g/mol. Its IUPAC name is potassium 5-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-2-olate.

Molecular Properties

Compound Namepotassium 5-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-2-olate
PubChem CID23696711
Molecular FormulaC11H8FKN2O3S
Molecular Weight306.36 g/mol
Exact Mass305.99
IUPAC Namepotassium 5-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-2-olate
SMILESO=C(CC1SC([O-])=NC1=O)Nc1ccc(F)cc1.[K+]
InChIInChI=1S/C11H9FN2O3S.K/c12-6-1-3-7(4-2-6)13-9(15)5-8-10(16)14-11(17)18-8;/h1-4,8H,5H2,(H,13,15)(H,14,16,17);/q;+1/p-1
InChIKeyFTLORHLIERUWKT-UHFFFAOYSA-M
XLogP-2.48
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 5-2.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-fluorophenyl)acetamide
CID 17424688
N-(4-fluorophenyl)-2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 135725453
2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]phenyl]acetamide
CID 3936820
2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(4-hydroxyphenyl)acetamide
CID 7164202
2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1387313
N-(4-fluorophenyl)-2-[(5R)-2-[(3R)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 29206720
N-(4-fluorophenyl)-2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetamide
CID 28976953
2-[2-[3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-fluorophenyl)acetamide
CID 22547918
2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide
CID 2135569
2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
CID 135725449
2-[(5S)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 135836345
[4-[[2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]acetyl]amino]phenyl] acetate
CID 1350500

Frequently Asked Questions

What is the IUPAC name of potassium 5-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-2-olate?
The IUPAC name of potassium 5-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-2-olate (CID 23696711) is potassium 5-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-2-olate.
What is the SMILES notation for potassium 5-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-2-olate?
The canonical SMILES for potassium 5-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-2-olate is O=C(CC1SC([O-])=NC1=O)Nc1ccc(F)cc1.[K+].
What is the InChIKey of potassium 5-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-2-olate?
The InChIKey is FTLORHLIERUWKT-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H9FN2O3S.K/c12-6-1-3-7(4-2-6)13-9(15)5-8-10(16)14-11(17)18-8;/h1-4,8H,5H2,(H,13,15)(H,14,16,17);/q;+1/p-1.
What are the key properties of potassium 5-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-2-olate?
potassium 5-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-2-olate has a molecular weight of 306.36 g/mol, XLogP of -2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-2-olate is sourced from PubChem (CID 23696711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).