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

C14H16F2N4O2S — CID 167627100

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

N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 167627100) has the molecular formula C14H16F2N4O2S and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
• PubChem CID: 167627100
• Molecular Formula: C14H16F2N4O2S
• Molecular Weight: 342.37 g/mol
• Exact Mass: 342.10
• IUPAC Name: N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
• SMILES: CC(C)Nc1ncc(C(=O)Nc2cc(F)c(=O)n(CCF)c2)s1
• InChI: InChI=1S/C14H16F2N4O2S/c1-8(2)18-14-17-6-11(23-14)12(21)19-9-5-10(16)13(22)20(7-9)4-3-15/h5-8H,3-4H2,1-2H3,(H,17,18)(H,19,21)
• InChIKey: NGNVKDKFLJNPNK-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.37
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 167627100) is N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is CC(C)Nc1ncc(C(=O)Nc2cc(F)c(=O)n(CCF)c2)s1.

What is the InChIKey of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?

The InChIKey is NGNVKDKFLJNPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O2S/c1-8(2)18-14-17-6-11(23-14)12(21)19-9-5-10(16)13(22)20(7-9)4-3-15/h5-8H,3-4H2,1-2H3,(H,17,18)(H,19,21).

What are the key properties of N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?

N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167627100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).