2-chloro-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide

C11H9ClFN3O2S — CID 146323383

IUPAC2-chloro-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCCn1cc(NC(=O)c2cnc(Cl)s2)cc(F)c1=O
InChIInChI=1S/C11H9ClFN3O2S/c1-2-16-5-6(3-7(13)10(16)18)15-9(17)8-4-14-11(12)19-8/h3-5H,2H2,1H3,(H,15,17)
InChIKeyZLYTYFHSJUVJLD-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.37
Rot. Bonds3

About 2-chloro-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide

2-chloro-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide (PubChem CID 146323383) has the molecular formula C11H9ClFN3O2S and a molecular weight of 301.73 g/mol. Its IUPAC name is 2-chloro-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide
PubChem CID146323383
Molecular FormulaC11H9ClFN3O2S
Molecular Weight301.73 g/mol
Exact Mass301.01
IUPAC Name2-chloro-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCCn1cc(NC(=O)c2cnc(Cl)s2)cc(F)c1=O
InChIInChI=1S/C11H9ClFN3O2S/c1-2-16-5-6(3-7(13)10(16)18)15-9(17)8-4-14-11(12)19-8/h3-5H,2H2,1H3,(H,15,17)
InChIKeyZLYTYFHSJUVJLD-UHFFFAOYSA-N
XLogP2.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-chloro-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide (CID 146323383) is 2-chloro-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-chloro-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide is CCn1cc(NC(=O)c2cnc(Cl)s2)cc(F)c1=O.
What is the InChIKey of 2-chloro-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The InChIKey is ZLYTYFHSJUVJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O2S/c1-2-16-5-6(3-7(13)10(16)18)15-9(17)8-4-14-11(12)19-8/h3-5H,2H2,1H3,(H,15,17).
What are the key properties of 2-chloro-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide?
2-chloro-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide has a molecular weight of 301.73 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 146323383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).