2-amino-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide

C11H10F2N4O2S — CID 167558237

IUPAC2-amino-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESNc1ncc(C(=O)Nc2cc(F)c(=O)n(CCF)c2)s1
InChIInChI=1S/C11H10F2N4O2S/c12-1-2-17-5-6(3-7(13)10(17)19)16-9(18)8-4-15-11(14)20-8/h3-5H,1-2H2,(H2,14,15)(H,16,18)
InChIKeyDHKDIBQJNHQLCX-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.25
Rot. Bonds4

About 2-amino-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide

2-amino-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 167558237) has the molecular formula C11H10F2N4O2S and a molecular weight of 300.29 g/mol. Its IUPAC name is 2-amino-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
PubChem CID167558237
Molecular FormulaC11H10F2N4O2S
Molecular Weight300.29 g/mol
Exact Mass300.05
IUPAC Name2-amino-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESNc1ncc(C(=O)Nc2cc(F)c(=O)n(CCF)c2)s1
InChIInChI=1S/C11H10F2N4O2S/c12-1-2-17-5-6(3-7(13)10(17)19)16-9(18)8-4-15-11(14)20-8/h3-5H,1-2H2,(H2,14,15)(H,16,18)
InChIKeyDHKDIBQJNHQLCX-UHFFFAOYSA-N
XLogP1.25
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide 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 2-amino-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide (CID 167558237) is 2-amino-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide is Nc1ncc(C(=O)Nc2cc(F)c(=O)n(CCF)c2)s1.
What is the InChIKey of 2-amino-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The InChIKey is DHKDIBQJNHQLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O2S/c12-1-2-17-5-6(3-7(13)10(17)19)16-9(18)8-4-15-11(14)20-8/h3-5H,1-2H2,(H2,14,15)(H,16,18).
What are the key properties of 2-amino-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide?
2-amino-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 300.29 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167558237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).