2-aminoethanol;2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid

C13H14FN3O4S — CID 13177617

IUPAC2-aminoethanol;2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
SMILESNCCO.O=C(O)C(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C11H7FN2O3S.C2H7NO/c12-7-3-1-6(2-4-7)8-5-18-11(13-8)14-9(15)10(16)17;3-1-2-4/h1-5H,(H,16,17)(H,13,14,15);4H,1-3H2
InChIKeyTVWPMGNPJCFJNR-UHFFFAOYSA-N
MW327.34 g/mol
LogP0.91
Rot. Bonds3

About 2-aminoethanol;2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid

2-aminoethanol;2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid (PubChem CID 13177617) has the molecular formula C13H14FN3O4S and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-aminoethanol;2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-aminoethanol;2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
PubChem CID13177617
Molecular FormulaC13H14FN3O4S
Molecular Weight327.34 g/mol
Exact Mass327.07
IUPAC Name2-aminoethanol;2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
SMILESNCCO.O=C(O)C(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C11H7FN2O3S.C2H7NO/c12-7-3-1-6(2-4-7)8-5-18-11(13-8)14-9(15)10(16)17;3-1-2-4/h1-5H,(H,16,17)(H,13,14,15);4H,1-3H2
InChIKeyTVWPMGNPJCFJNR-UHFFFAOYSA-N
XLogP0.91
TPSA125.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-aminoethanol;2-oxo-2-[[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]acetic acid
CID 13177627
2-aminoethanol;2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid
CID 3068159
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 63679014
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-fluorobenzoate
CID 23988138
N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 7733333
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 3218991
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide
CID 25026752
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19178667
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 8661242

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid?
The IUPAC name of 2-aminoethanol;2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid (CID 13177617) is 2-aminoethanol;2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid.
What is the SMILES notation for 2-aminoethanol;2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid?
The canonical SMILES for 2-aminoethanol;2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid is NCCO.O=C(O)C(=O)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 2-aminoethanol;2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid?
The InChIKey is TVWPMGNPJCFJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O3S.C2H7NO/c12-7-3-1-6(2-4-7)8-5-18-11(13-8)14-9(15)10(16)17;3-1-2-4/h1-5H,(H,16,17)(H,13,14,15);4H,1-3H2.
What are the key properties of 2-aminoethanol;2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid?
2-aminoethanol;2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid has a molecular weight of 327.34 g/mol, XLogP of 0.91, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid is sourced from PubChem (CID 13177617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).