N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide

C18H17FN4O4S2 — CID 38931534

About N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide (PubChem CID 38931534) has the molecular formula C18H17FN4O4S2 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide.

Molecular Properties

• Compound Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
• PubChem CID: 38931534
• Molecular Formula: C18H17FN4O4S2
• Molecular Weight: 436.49 g/mol
• Exact Mass: 436.07
• IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
• SMILES: O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1nc2ccc(F)cc2s1
• InChI: InChI=1S/C18H17FN4O4S2/c19-12-3-5-14-15(9-12)28-18(20-14)21-16(24)11-22-10-13(4-6-17(22)25)29(26,27)23-7-1-2-8-23/h3-6,9-10H,1-2,7-8,11H2,(H,20,21,24)
• InChIKey: WKKOVPPYQMLMKJ-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 101.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.49
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?

The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide (CID 38931534) is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide.

What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?

The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide is O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1nc2ccc(F)cc2s1.

What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?

The InChIKey is WKKOVPPYQMLMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O4S2/c19-12-3-5-14-15(9-12)28-18(20-14)21-16(24)11-22-10-13(4-6-17(22)25)29(26,27)23-7-1-2-8-23/h3-6,9-10H,1-2,7-8,11H2,(H,20,21,24).

What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide has a molecular weight of 436.49 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide is sourced from PubChem (CID 38931534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).