N-[5-[[(2S)-2-[(5-fluoropyrimidin-2-yl)methyl]-1,4-oxazepan-4-yl]methyl]-1,3-thiazol-2-yl]acetamide

C16H20FN5O2S — CID 146629065

About N-[5-[[(2S)-2-[(5-fluoropyrimidin-2-yl)methyl]-1,4-oxazepan-4-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[(2S)-2-[(5-fluoropyrimidin-2-yl)methyl]-1,4-oxazepan-4-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 146629065) has the molecular formula C16H20FN5O2S and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[5-[[(2S)-2-[(5-fluoropyrimidin-2-yl)methyl]-1,4-oxazepan-4-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[[(2S)-2-[(5-fluoropyrimidin-2-yl)methyl]-1,4-oxazepan-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 146629065
• Molecular Formula: C16H20FN5O2S
• Molecular Weight: 365.43 g/mol
• Exact Mass: 365.13
• IUPAC Name: N-[5-[[(2S)-2-[(5-fluoropyrimidin-2-yl)methyl]-1,4-oxazepan-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1ncc(CN2CCCO[C@@H](Cc3ncc(F)cn3)C2)s1
• InChI: InChI=1S/C16H20FN5O2S/c1-11(23)21-16-20-8-14(25-16)10-22-3-2-4-24-13(9-22)5-15-18-6-12(17)7-19-15/h6-8,13H,2-5,9-10H2,1H3,(H,20,21,23)/t13-/m0/s1
• InChIKey: APTCRJUDTCCUPA-ZDUSSCGKSA-N
• XLogP: 1.86
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.43
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2S)-2-[(5-fluoropyrimidin-2-yl)methyl]-1,4-oxazepan-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-[5-[[(2S)-2-[(5-fluoropyrimidin-2-yl)methyl]-1,4-oxazepan-4-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 146629065) is N-[5-[[(2S)-2-[(5-fluoropyrimidin-2-yl)methyl]-1,4-oxazepan-4-yl]methyl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-[5-[[(2S)-2-[(5-fluoropyrimidin-2-yl)methyl]-1,4-oxazepan-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-[5-[[(2S)-2-[(5-fluoropyrimidin-2-yl)methyl]-1,4-oxazepan-4-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCCO[C@@H](Cc3ncc(F)cn3)C2)s1.

What is the InChIKey of N-[5-[[(2S)-2-[(5-fluoropyrimidin-2-yl)methyl]-1,4-oxazepan-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is APTCRJUDTCCUPA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20FN5O2S/c1-11(23)21-16-20-8-14(25-16)10-22-3-2-4-24-13(9-22)5-15-18-6-12(17)7-19-15/h6-8,13H,2-5,9-10H2,1H3,(H,20,21,23)/t13-/m0/s1.

What are the key properties of N-[5-[[(2S)-2-[(5-fluoropyrimidin-2-yl)methyl]-1,4-oxazepan-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?

N-[5-[[(2S)-2-[(5-fluoropyrimidin-2-yl)methyl]-1,4-oxazepan-4-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 365.43 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[(2S)-2-[(5-fluoropyrimidin-2-yl)methyl]-1,4-oxazepan-4-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 146629065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).