6-fluoro-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide

C10H8FN3OS — CID 63978404

IUPAC6-fluoro-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1nccs1)c1ccc(F)nc1
InChIInChI=1S/C10H8FN3OS/c11-8-2-1-7(5-13-8)10(15)14-6-9-12-3-4-16-9/h1-5H,6H2,(H,14,15)
InChIKeyMCQXSLUYDURKRJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.61
Rot. Bonds3

About 6-fluoro-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide

6-fluoro-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 63978404) has the molecular formula C10H8FN3OS and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-fluoro-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
PubChem CID63978404
Molecular FormulaC10H8FN3OS
Molecular Weight237.26 g/mol
Exact Mass237.04
IUPAC Name6-fluoro-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1nccs1)c1ccc(F)nc1
InChIInChI=1S/C10H8FN3OS/c11-8-2-1-7(5-13-8)10(15)14-6-9-12-3-4-16-9/h1-5H,6H2,(H,14,15)
InChIKeyMCQXSLUYDURKRJ-UHFFFAOYSA-N
XLogP1.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide (CID 63978404) is 6-fluoro-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1nccs1)c1ccc(F)nc1.
What is the InChIKey of 6-fluoro-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is MCQXSLUYDURKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3OS/c11-8-2-1-7(5-13-8)10(15)14-6-9-12-3-4-16-9/h1-5H,6H2,(H,14,15).
What are the key properties of 6-fluoro-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide?
6-fluoro-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 237.26 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 63978404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).