5-fluoro-2-(thian-4-ylamino)pyridine-3-carboxamide

C11H14FN3OS — CID 141190389

IUPAC5-fluoro-2-(thian-4-ylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)cnc1NC1CCSCC1
InChIInChI=1S/C11H14FN3OS/c12-7-5-9(10(13)16)11(14-6-7)15-8-1-3-17-4-2-8/h5-6,8H,1-4H2,(H2,13,16)(H,14,15)
InChIKeyGWFWHPOKPBHHBX-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.63
Rot. Bonds3

About 5-fluoro-2-(thian-4-ylamino)pyridine-3-carboxamide

5-fluoro-2-(thian-4-ylamino)pyridine-3-carboxamide (PubChem CID 141190389) has the molecular formula C11H14FN3OS and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-fluoro-2-(thian-4-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-(thian-4-ylamino)pyridine-3-carboxamide
PubChem CID141190389
Molecular FormulaC11H14FN3OS
Molecular Weight255.32 g/mol
Exact Mass255.08
IUPAC Name5-fluoro-2-(thian-4-ylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)cnc1NC1CCSCC1
InChIInChI=1S/C11H14FN3OS/c12-7-5-9(10(13)16)11(14-6-7)15-8-1-3-17-4-2-8/h5-6,8H,1-4H2,(H2,13,16)(H,14,15)
InChIKeyGWFWHPOKPBHHBX-UHFFFAOYSA-N
XLogP1.63
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(thian-4-ylamino)pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-2-(thian-4-ylamino)pyridine-3-carboxamide (CID 141190389) is 5-fluoro-2-(thian-4-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-2-(thian-4-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-2-(thian-4-ylamino)pyridine-3-carboxamide is NC(=O)c1cc(F)cnc1NC1CCSCC1.
What is the InChIKey of 5-fluoro-2-(thian-4-ylamino)pyridine-3-carboxamide?
The InChIKey is GWFWHPOKPBHHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3OS/c12-7-5-9(10(13)16)11(14-6-7)15-8-1-3-17-4-2-8/h5-6,8H,1-4H2,(H2,13,16)(H,14,15).
What are the key properties of 5-fluoro-2-(thian-4-ylamino)pyridine-3-carboxamide?
5-fluoro-2-(thian-4-ylamino)pyridine-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(thian-4-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 141190389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).