3-fluoro-N-[(2R)-2-phenylpentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide

C25H24FN5OS2 — CID 143711763

About 3-fluoro-N-[(2R)-2-phenylpentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide

3-fluoro-N-[(2R)-2-phenylpentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide (PubChem CID 143711763) has the molecular formula C25H24FN5OS2 and a molecular weight of 493.63 g/mol. Its IUPAC name is 3-fluoro-N-[(2R)-2-phenylpentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-fluoro-N-[(2R)-2-phenylpentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
• PubChem CID: 143711763
• Molecular Formula: C25H24FN5OS2
• Molecular Weight: 493.63 g/mol
• Exact Mass: 493.14
• IUPAC Name: 3-fluoro-N-[(2R)-2-phenylpentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
• SMILES: CCC[C@@H](CNC(=O)c1nccc(Sc2cnc(Nc3ccccn3)s2)c1F)c1ccccc1
• InChI: InChI=1S/C25H24FN5OS2/c1-2-8-18(17-9-4-3-5-10-17)15-29-24(32)23-22(26)19(12-14-28-23)33-21-16-30-25(34-21)31-20-11-6-7-13-27-20/h3-7,9-14,16,18H,2,8,15H2,1H3,(H,29,32)(H,27,30,31)/t18-/m0/s1
• InChIKey: LQQKOUXBWSQMSY-SFHVURJKSA-N
• XLogP: 6.28
• TPSA: 79.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.63
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2R)-2-phenylpentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?

The IUPAC name of 3-fluoro-N-[(2R)-2-phenylpentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide (CID 143711763) is 3-fluoro-N-[(2R)-2-phenylpentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide.

What is the SMILES notation for 3-fluoro-N-[(2R)-2-phenylpentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?

The canonical SMILES for 3-fluoro-N-[(2R)-2-phenylpentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide is CCC[C@@H](CNC(=O)c1nccc(Sc2cnc(Nc3ccccn3)s2)c1F)c1ccccc1.

What is the InChIKey of 3-fluoro-N-[(2R)-2-phenylpentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?

The InChIKey is LQQKOUXBWSQMSY-SFHVURJKSA-N. The full InChI is InChI=1S/C25H24FN5OS2/c1-2-8-18(17-9-4-3-5-10-17)15-29-24(32)23-22(26)19(12-14-28-23)33-21-16-30-25(34-21)31-20-11-6-7-13-27-20/h3-7,9-14,16,18H,2,8,15H2,1H3,(H,29,32)(H,27,30,31)/t18-/m0/s1.

What are the key properties of 3-fluoro-N-[(2R)-2-phenylpentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?

3-fluoro-N-[(2R)-2-phenylpentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide has a molecular weight of 493.63 g/mol, XLogP of 6.28, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[(2R)-2-phenylpentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide is sourced from PubChem (CID 143711763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).