fluoro 3-[(5-chloro-1,3-thiazol-2-yl)amino]-3-oxopropanoate

C6H4ClFN2O3S — CID 156888636

IUPACfluoro 3-[(5-chloro-1,3-thiazol-2-yl)amino]-3-oxopropanoate
SMILESO=C(CC(=O)OF)Nc1ncc(Cl)s1
InChIInChI=1S/C6H4ClFN2O3S/c7-3-2-9-6(14-3)10-4(11)1-5(12)13-8/h2H,1H2,(H,9,10,11)
InChIKeyIIJOHWQQOSCQGA-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.55
Rot. Bonds3

About fluoro 3-[(5-chloro-1,3-thiazol-2-yl)amino]-3-oxopropanoate

fluoro 3-[(5-chloro-1,3-thiazol-2-yl)amino]-3-oxopropanoate (PubChem CID 156888636) has the molecular formula C6H4ClFN2O3S and a molecular weight of 238.63 g/mol. Its IUPAC name is fluoro 3-[(5-chloro-1,3-thiazol-2-yl)amino]-3-oxopropanoate.

Molecular Properties

Compound Namefluoro 3-[(5-chloro-1,3-thiazol-2-yl)amino]-3-oxopropanoate
PubChem CID156888636
Molecular FormulaC6H4ClFN2O3S
Molecular Weight238.63 g/mol
Exact Mass237.96
IUPAC Namefluoro 3-[(5-chloro-1,3-thiazol-2-yl)amino]-3-oxopropanoate
SMILESO=C(CC(=O)OF)Nc1ncc(Cl)s1
InChIInChI=1S/C6H4ClFN2O3S/c7-3-2-9-6(14-3)10-4(11)1-5(12)13-8/h2H,1H2,(H,9,10,11)
InChIKeyIIJOHWQQOSCQGA-UHFFFAOYSA-N
XLogP1.55
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze fluoro 3-[(5-chloro-1,3-thiazol-2-yl)amino]-3-oxopropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of fluoro 3-[(5-chloro-1,3-thiazol-2-yl)amino]-3-oxopropanoate?
The IUPAC name of fluoro 3-[(5-chloro-1,3-thiazol-2-yl)amino]-3-oxopropanoate (CID 156888636) is fluoro 3-[(5-chloro-1,3-thiazol-2-yl)amino]-3-oxopropanoate.
What is the SMILES notation for fluoro 3-[(5-chloro-1,3-thiazol-2-yl)amino]-3-oxopropanoate?
The canonical SMILES for fluoro 3-[(5-chloro-1,3-thiazol-2-yl)amino]-3-oxopropanoate is O=C(CC(=O)OF)Nc1ncc(Cl)s1.
What is the InChIKey of fluoro 3-[(5-chloro-1,3-thiazol-2-yl)amino]-3-oxopropanoate?
The InChIKey is IIJOHWQQOSCQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFN2O3S/c7-3-2-9-6(14-3)10-4(11)1-5(12)13-8/h2H,1H2,(H,9,10,11).
What are the key properties of fluoro 3-[(5-chloro-1,3-thiazol-2-yl)amino]-3-oxopropanoate?
fluoro 3-[(5-chloro-1,3-thiazol-2-yl)amino]-3-oxopropanoate has a molecular weight of 238.63 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-[(5-chloro-1,3-thiazol-2-yl)amino]-3-oxopropanoate is sourced from PubChem (CID 156888636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).