1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide

C15H13FN4OS2 — CID 121128596

About 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide

1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide (PubChem CID 121128596) has the molecular formula C15H13FN4OS2 and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide
• PubChem CID: 121128596
• Molecular Formula: C15H13FN4OS2
• Molecular Weight: 348.43 g/mol
• Exact Mass: 348.05
• IUPAC Name: 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide
• SMILES: Cc1cnc(NC(=O)C2CN(c3nc4ccc(F)cc4s3)C2)s1
• InChI: InChI=1S/C15H13FN4OS2/c1-8-5-17-14(22-8)19-13(21)9-6-20(7-9)15-18-11-3-2-10(16)4-12(11)23-15/h2-5,9H,6-7H2,1H3,(H,17,19,21)
• InChIKey: NXRGKBSEBJJJRH-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.43
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide?

The IUPAC name of 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide (CID 121128596) is 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide.

What is the SMILES notation for 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide?

The canonical SMILES for 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide is Cc1cnc(NC(=O)C2CN(c3nc4ccc(F)cc4s3)C2)s1.

What is the InChIKey of 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide?

The InChIKey is NXRGKBSEBJJJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4OS2/c1-8-5-17-14(22-8)19-13(21)9-6-20(7-9)15-18-11-3-2-10(16)4-12(11)23-15/h2-5,9H,6-7H2,1H3,(H,17,19,21).

What are the key properties of 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide?

1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 121128596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).