2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide

C10H8FN3O2S — CID 107358887

IUPAC2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1csc(=O)[nH]1)c1cccnc1F
InChIInChI=1S/C10H8FN3O2S/c11-8-7(2-1-3-12-8)9(15)13-4-6-5-17-10(16)14-6/h1-3,5H,4H2,(H,13,15)(H,14,16)
InChIKeySRJGPQWOCGRNOL-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.90
Rot. Bonds3

About 2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide

2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 107358887) has the molecular formula C10H8FN3O2S and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
PubChem CID107358887
Molecular FormulaC10H8FN3O2S
Molecular Weight253.26 g/mol
Exact Mass253.03
IUPAC Name2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1csc(=O)[nH]1)c1cccnc1F
InChIInChI=1S/C10H8FN3O2S/c11-8-7(2-1-3-12-8)9(15)13-4-6-5-17-10(16)14-6/h1-3,5H,4H2,(H,13,15)(H,14,16)
InChIKeySRJGPQWOCGRNOL-UHFFFAOYSA-N
XLogP0.90
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 106383409
2-fluoro-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 107358701
3-(3-hydroxyprop-1-ynyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 106383172
2-fluoro-4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 104929955
3-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 113341020
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 106383418
2-amino-5-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 114181175
4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 114181781
3-amino-2-ethoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106379162
2-fluoro-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 107358803
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114181779
3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 106382731

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide (CID 107358887) is 2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide is O=C(NCc1csc(=O)[nH]1)c1cccnc1F.
What is the InChIKey of 2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is SRJGPQWOCGRNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2S/c11-8-7(2-1-3-12-8)9(15)13-4-6-5-17-10(16)14-6/h1-3,5H,4H2,(H,13,15)(H,14,16).
What are the key properties of 2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 253.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 107358887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).