3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid

C14H9FN4O2S2 — CID 59200423

IUPAC3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1nccc(Sc2cnc(Nc3ccccn3)s2)c1F
InChIInChI=1S/C14H9FN4O2S2/c15-11-8(4-6-17-12(11)13(20)21)22-10-7-18-14(23-10)19-9-3-1-2-5-16-9/h1-7H,(H,20,21)(H,16,18,19)
InChIKeyQFCVXGXUEQSNBO-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.67
Rot. Bonds5

About 3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid

3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid (PubChem CID 59200423) has the molecular formula C14H9FN4O2S2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid
PubChem CID59200423
Molecular FormulaC14H9FN4O2S2
Molecular Weight348.38 g/mol
Exact Mass348.02
IUPAC Name3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1nccc(Sc2cnc(Nc3ccccn3)s2)c1F
InChIInChI=1S/C14H9FN4O2S2/c15-11-8(4-6-17-12(11)13(20)21)22-10-7-18-14(23-10)19-9-3-1-2-5-16-9/h1-7H,(H,20,21)(H,16,18,19)
InChIKeyQFCVXGXUEQSNBO-UHFFFAOYSA-N
XLogP3.67
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid (CID 59200423) is 3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid is O=C(O)c1nccc(Sc2cnc(Nc3ccccn3)s2)c1F.
What is the InChIKey of 3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid?
The InChIKey is QFCVXGXUEQSNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4O2S2/c15-11-8(4-6-17-12(11)13(20)21)22-10-7-18-14(23-10)19-9-3-1-2-5-16-9/h1-7H,(H,20,21)(H,16,18,19).
What are the key properties of 3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid?
3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid has a molecular weight of 348.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 59200423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).