6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide

C15H8F4N4O3S2 — CID 66634275

IUPAC6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide
SMILESO=C(NS(=O)(=O)C(F)(F)F)c1cccc(-c2cnc(-c3cncc(F)c3)s2)n1
InChIInChI=1S/C15H8F4N4O3S2/c16-9-4-8(5-20-6-9)14-21-7-12(27-14)10-2-1-3-11(22-10)13(24)23-28(25,26)15(17,18)19/h1-7H,(H,23,24)
InChIKeyOZLKMWIYXCMGKM-UHFFFAOYSA-N
MW432.38 g/mol
LogP2.99
Rot. Bonds4

About 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide

6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide (PubChem CID 66634275) has the molecular formula C15H8F4N4O3S2 and a molecular weight of 432.38 g/mol. Its IUPAC name is 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide
PubChem CID66634275
Molecular FormulaC15H8F4N4O3S2
Molecular Weight432.38 g/mol
Exact Mass432.00
IUPAC Name6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide
SMILESO=C(NS(=O)(=O)C(F)(F)F)c1cccc(-c2cnc(-c3cncc(F)c3)s2)n1
InChIInChI=1S/C15H8F4N4O3S2/c16-9-4-8(5-20-6-9)14-21-7-12(27-14)10-2-1-3-11(22-10)13(24)23-28(25,26)15(17,18)19/h1-7H,(H,23,24)
InChIKeyOZLKMWIYXCMGKM-UHFFFAOYSA-N
XLogP2.99
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide?
The IUPAC name of 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide (CID 66634275) is 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide is O=C(NS(=O)(=O)C(F)(F)F)c1cccc(-c2cnc(-c3cncc(F)c3)s2)n1.
What is the InChIKey of 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide?
The InChIKey is OZLKMWIYXCMGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F4N4O3S2/c16-9-4-8(5-20-6-9)14-21-7-12(27-14)10-2-1-3-11(22-10)13(24)23-28(25,26)15(17,18)19/h1-7H,(H,23,24).
What are the key properties of 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide?
6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide has a molecular weight of 432.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide is sourced from PubChem (CID 66634275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).