N-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide

C20H23FN4O3S — CID 154946747

About N-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide

N-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide (PubChem CID 154946747) has the molecular formula C20H23FN4O3S and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide
• PubChem CID: 154946747
• Molecular Formula: C20H23FN4O3S
• Molecular Weight: 418.49 g/mol
• Exact Mass: 418.15
• IUPAC Name: N-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide
• SMILES: CC(=O)NC(C)C(C)Oc1cnc(Oc2ccc3nc(C(C)C)sc3c2F)cn1
• InChI: InChI=1S/C20H23FN4O3S/c1-10(2)20-25-14-6-7-15(18(21)19(14)29-20)28-17-9-22-16(8-23-17)27-12(4)11(3)24-13(5)26/h6-12H,1-5H3,(H,24,26)
• InChIKey: YCEUTTVQEMHHIB-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 86.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.49
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide?

The IUPAC name of N-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide (CID 154946747) is N-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide.

What is the SMILES notation for N-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide?

The canonical SMILES for N-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide is CC(=O)NC(C)C(C)Oc1cnc(Oc2ccc3nc(C(C)C)sc3c2F)cn1.

What is the InChIKey of N-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide?

The InChIKey is YCEUTTVQEMHHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3S/c1-10(2)20-25-14-6-7-15(18(21)19(14)29-20)28-17-9-22-16(8-23-17)27-12(4)11(3)24-13(5)26/h6-12H,1-5H3,(H,24,26).

What are the key properties of N-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide?

N-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide has a molecular weight of 418.49 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide is sourced from PubChem (CID 154946747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).