6-fluoro-N-(1,2-thiazol-4-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide

C12H9F4N3O2S — CID 164708130

IUPAC6-fluoro-N-(1,2-thiazol-4-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide
SMILESCC(Oc1nc(F)ccc1C(=O)Nc1cnsc1)C(F)(F)F
InChIInChI=1S/C12H9F4N3O2S/c1-6(12(14,15)16)21-11-8(2-3-9(13)19-11)10(20)18-7-4-17-22-5-7/h2-6H,1H3,(H,18,20)
InChIKeyQQNSXRHHDLGRPD-UHFFFAOYSA-N
MW335.28 g/mol
LogP3.26
Rot. Bonds4

About 6-fluoro-N-(1,2-thiazol-4-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide

6-fluoro-N-(1,2-thiazol-4-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide (PubChem CID 164708130) has the molecular formula C12H9F4N3O2S and a molecular weight of 335.28 g/mol. Its IUPAC name is 6-fluoro-N-(1,2-thiazol-4-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(1,2-thiazol-4-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide
PubChem CID164708130
Molecular FormulaC12H9F4N3O2S
Molecular Weight335.28 g/mol
Exact Mass335.04
IUPAC Name6-fluoro-N-(1,2-thiazol-4-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide
SMILESCC(Oc1nc(F)ccc1C(=O)Nc1cnsc1)C(F)(F)F
InChIInChI=1S/C12H9F4N3O2S/c1-6(12(14,15)16)21-11-8(2-3-9(13)19-11)10(20)18-7-4-17-22-5-7/h2-6H,1H3,(H,18,20)
InChIKeyQQNSXRHHDLGRPD-UHFFFAOYSA-N
XLogP3.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1,2-thiazol-4-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-(1,2-thiazol-4-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide (CID 164708130) is 6-fluoro-N-(1,2-thiazol-4-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-(1,2-thiazol-4-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-(1,2-thiazol-4-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide is CC(Oc1nc(F)ccc1C(=O)Nc1cnsc1)C(F)(F)F.
What is the InChIKey of 6-fluoro-N-(1,2-thiazol-4-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide?
The InChIKey is QQNSXRHHDLGRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N3O2S/c1-6(12(14,15)16)21-11-8(2-3-9(13)19-11)10(20)18-7-4-17-22-5-7/h2-6H,1H3,(H,18,20).
What are the key properties of 6-fluoro-N-(1,2-thiazol-4-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide?
6-fluoro-N-(1,2-thiazol-4-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide has a molecular weight of 335.28 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1,2-thiazol-4-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide is sourced from PubChem (CID 164708130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).