2-naphthalen-1-yl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide

C19H17N3O2S — CID 90625397

About 2-naphthalen-1-yl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide

2-naphthalen-1-yl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide (PubChem CID 90625397) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-naphthalen-1-yl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide
• PubChem CID: 90625397
• Molecular Formula: C19H17N3O2S
• Molecular Weight: 351.43 g/mol
• Exact Mass: 351.10
• IUPAC Name: 2-naphthalen-1-yl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide
• SMILES: O=C(Cc1cccc2ccccc12)Nc1nc2c(s1)C(=O)NCCC2
• InChI: InChI=1S/C19H17N3O2S/c23-16(11-13-7-3-6-12-5-1-2-8-14(12)13)22-19-21-15-9-4-10-20-18(24)17(15)25-19/h1-3,5-8H,4,9-11H2,(H,20,24)(H,21,22,23)
• InChIKey: BHBWCHMZECPUDG-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.43
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide?

The IUPAC name of 2-naphthalen-1-yl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide (CID 90625397) is 2-naphthalen-1-yl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide.

What is the SMILES notation for 2-naphthalen-1-yl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide?

The canonical SMILES for 2-naphthalen-1-yl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide is O=C(Cc1cccc2ccccc12)Nc1nc2c(s1)C(=O)NCCC2.

What is the InChIKey of 2-naphthalen-1-yl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide?

The InChIKey is BHBWCHMZECPUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c23-16(11-13-7-3-6-12-5-1-2-8-14(12)13)22-19-21-15-9-4-10-20-18(24)17(15)25-19/h1-3,5-8H,4,9-11H2,(H,20,24)(H,21,22,23).

What are the key properties of 2-naphthalen-1-yl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide?

2-naphthalen-1-yl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide has a molecular weight of 351.43 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-1-yl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide is sourced from PubChem (CID 90625397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).