2-naphthalen-1-yl-N-(5-propyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)acetamide

C21H24N3OS+ — CID 8550637

IUPAC2-naphthalen-1-yl-N-(5-propyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)acetamide
SMILESCCC[NH+]1CCc2nc(NC(=O)Cc3cccc4ccccc34)sc2C1
InChIInChI=1S/C21H23N3OS/c1-2-11-24-12-10-18-19(14-24)26-21(22-18)23-20(25)13-16-8-5-7-15-6-3-4-9-17(15)16/h3-9H,2,10-14H2,1H3,(H,22,23,25)/p+1
InChIKeyNGRFKVRRMLYMAD-UHFFFAOYSA-O
MW366.51 g/mol
LogP2.83
Rot. Bonds5

About 2-naphthalen-1-yl-N-(5-propyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)acetamide

2-naphthalen-1-yl-N-(5-propyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)acetamide (PubChem CID 8550637) has the molecular formula C21H24N3OS+ and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-(5-propyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-(5-propyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)acetamide
PubChem CID8550637
Molecular FormulaC21H24N3OS+
Molecular Weight366.51 g/mol
Exact Mass366.16
IUPAC Name2-naphthalen-1-yl-N-(5-propyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)acetamide
SMILESCCC[NH+]1CCc2nc(NC(=O)Cc3cccc4ccccc34)sc2C1
InChIInChI=1S/C21H23N3OS/c1-2-11-24-12-10-18-19(14-24)26-21(22-18)23-20(25)13-16-8-5-7-15-6-3-4-9-17(15)16/h3-9H,2,10-14H2,1H3,(H,22,23,25)/p+1
InChIKeyNGRFKVRRMLYMAD-UHFFFAOYSA-O
XLogP2.83
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-(5-propyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-(5-propyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)acetamide (CID 8550637) is 2-naphthalen-1-yl-N-(5-propyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-(5-propyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-(5-propyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)acetamide is CCC[NH+]1CCc2nc(NC(=O)Cc3cccc4ccccc34)sc2C1.
What is the InChIKey of 2-naphthalen-1-yl-N-(5-propyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)acetamide?
The InChIKey is NGRFKVRRMLYMAD-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H23N3OS/c1-2-11-24-12-10-18-19(14-24)26-21(22-18)23-20(25)13-16-8-5-7-15-6-3-4-9-17(15)16/h3-9H,2,10-14H2,1H3,(H,22,23,25)/p+1.
What are the key properties of 2-naphthalen-1-yl-N-(5-propyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)acetamide?
2-naphthalen-1-yl-N-(5-propyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)acetamide has a molecular weight of 366.51 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-(5-propyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)acetamide is sourced from PubChem (CID 8550637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).