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

C12H12FN3OS — CID 104579250

IUPAC6-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide
SMILESCC(CNC(=O)c1cccc(F)n1)c1nccs1
InChIInChI=1S/C12H12FN3OS/c1-8(12-14-5-6-18-12)7-15-11(17)9-3-2-4-10(13)16-9/h2-6,8H,7H2,1H3,(H,15,17)
InChIKeyBFAMRUXRPAZHHA-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.21
Rot. Bonds4

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

6-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide (PubChem CID 104579250) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is 6-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide
PubChem CID104579250
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC Name6-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide
SMILESCC(CNC(=O)c1cccc(F)n1)c1nccs1
InChIInChI=1S/C12H12FN3OS/c1-8(12-14-5-6-18-12)7-15-11(17)9-3-2-4-10(13)16-9/h2-6,8H,7H2,1H3,(H,15,17)
InChIKeyBFAMRUXRPAZHHA-UHFFFAOYSA-N
XLogP2.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.21
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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Related Compounds

6-amino-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide
CID 114129311
2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428973
3-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 104583096
6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide
CID 102904926
2-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428975
6-amino-N-[2-(1,3-thiazol-2-yl)propyl]pyrazine-2-carboxamide
CID 114129314
3-bromo-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428974
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
6-fluoro-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide
CID 115869324
2-(2-hydroxyphenyl)-N-[2-(1,3-thiazol-2-yl)propyl]acetamide
CID 104583126
2,2,2-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]acetamide
CID 104583148
6-fluoro-N-(2,2,3-trimethylbutyl)pyridine-2-carboxamide
CID 102612083

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide (CID 104579250) is 6-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide is CC(CNC(=O)c1cccc(F)n1)c1nccs1.
What is the InChIKey of 6-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide?
The InChIKey is BFAMRUXRPAZHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c1-8(12-14-5-6-18-12)7-15-11(17)9-3-2-4-10(13)16-9/h2-6,8H,7H2,1H3,(H,15,17).
What are the key properties of 6-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide?
6-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 104579250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).