6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1,3-thiazol-2-ylamino)propyl]-1H-pyridin-2-one

C22H20FN3OS — CID 137477995

IUPAC6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1,3-thiazol-2-ylamino)propyl]-1H-pyridin-2-one
SMILESCC(C)C(Nc1nccs1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C22H20FN3OS/c1-13(2)20(26-22-24-10-11-28-22)16-8-9-19(25-21(16)27)15-7-6-14-4-3-5-18(23)17(14)12-15/h3-13,20H,1-2H3,(H,24,26)(H,25,27)
InChIKeyFUIBDDMRHIBBNC-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.60
Rot. Bonds5

About 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1,3-thiazol-2-ylamino)propyl]-1H-pyridin-2-one

6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1,3-thiazol-2-ylamino)propyl]-1H-pyridin-2-one (PubChem CID 137477995) has the molecular formula C22H20FN3OS and a molecular weight of 393.49 g/mol. Its IUPAC name is 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1,3-thiazol-2-ylamino)propyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1,3-thiazol-2-ylamino)propyl]-1H-pyridin-2-one
PubChem CID137477995
Molecular FormulaC22H20FN3OS
Molecular Weight393.49 g/mol
Exact Mass393.13
IUPAC Name6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1,3-thiazol-2-ylamino)propyl]-1H-pyridin-2-one
SMILESCC(C)C(Nc1nccs1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C22H20FN3OS/c1-13(2)20(26-22-24-10-11-28-22)16-8-9-19(25-21(16)27)15-7-6-14-4-3-5-18(23)17(14)12-15/h3-13,20H,1-2H3,(H,24,26)(H,25,27)
InChIKeyFUIBDDMRHIBBNC-UHFFFAOYSA-N
XLogP5.60
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1,3-thiazol-2-ylamino)propyl]-1H-pyridin-2-one?
The IUPAC name of 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1,3-thiazol-2-ylamino)propyl]-1H-pyridin-2-one (CID 137477995) is 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1,3-thiazol-2-ylamino)propyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1,3-thiazol-2-ylamino)propyl]-1H-pyridin-2-one?
The canonical SMILES for 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1,3-thiazol-2-ylamino)propyl]-1H-pyridin-2-one is CC(C)C(Nc1nccs1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O.
What is the InChIKey of 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1,3-thiazol-2-ylamino)propyl]-1H-pyridin-2-one?
The InChIKey is FUIBDDMRHIBBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3OS/c1-13(2)20(26-22-24-10-11-28-22)16-8-9-19(25-21(16)27)15-7-6-14-4-3-5-18(23)17(14)12-15/h3-13,20H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1,3-thiazol-2-ylamino)propyl]-1H-pyridin-2-one?
6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1,3-thiazol-2-ylamino)propyl]-1H-pyridin-2-one has a molecular weight of 393.49 g/mol, XLogP of 5.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1,3-thiazol-2-ylamino)propyl]-1H-pyridin-2-one is sourced from PubChem (CID 137477995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).