N-[(2S)-1-[3-fluoro-3-[(2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide

C19H26FN3O3S — CID 122497647

About N-[(2S)-1-[3-fluoro-3-[(2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide

N-[(2S)-1-[3-fluoro-3-[(2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide (PubChem CID 122497647) has the molecular formula C19H26FN3O3S and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[(2S)-1-[3-fluoro-3-[(2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[3-fluoro-3-[(2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
• PubChem CID: 122497647
• Molecular Formula: C19H26FN3O3S
• Molecular Weight: 395.50 g/mol
• Exact Mass: 395.17
• IUPAC Name: N-[(2S)-1-[3-fluoro-3-[(2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
• SMILES: CC(=O)N[C@@H](C)COC1CC(F)(COc2cc3sc(C(C)C)nc3cn2)C1
• InChI: InChI=1S/C19H26FN3O3S/c1-11(2)18-23-15-8-21-17(5-16(15)27-18)26-10-19(20)6-14(7-19)25-9-12(3)22-13(4)24/h5,8,11-12,14H,6-7,9-10H2,1-4H3,(H,22,24)/t12-,14?,19?/m0/s1
• InChIKey: JFWLAGFAXGUDOB-YXZFSOQLSA-N
• XLogP: 3.61
• TPSA: 73.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.50
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-fluoro-3-[(2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?

The IUPAC name of N-[(2S)-1-[3-fluoro-3-[(2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide (CID 122497647) is N-[(2S)-1-[3-fluoro-3-[(2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide.

What is the SMILES notation for N-[(2S)-1-[3-fluoro-3-[(2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?

The canonical SMILES for N-[(2S)-1-[3-fluoro-3-[(2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide is CC(=O)N[C@@H](C)COC1CC(F)(COc2cc3sc(C(C)C)nc3cn2)C1.

What is the InChIKey of N-[(2S)-1-[3-fluoro-3-[(2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?

The InChIKey is JFWLAGFAXGUDOB-YXZFSOQLSA-N. The full InChI is InChI=1S/C19H26FN3O3S/c1-11(2)18-23-15-8-21-17(5-16(15)27-18)26-10-19(20)6-14(7-19)25-9-12(3)22-13(4)24/h5,8,11-12,14H,6-7,9-10H2,1-4H3,(H,22,24)/t12-,14?,19?/m0/s1.

What are the key properties of N-[(2S)-1-[3-fluoro-3-[(2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?

N-[(2S)-1-[3-fluoro-3-[(2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[3-fluoro-3-[(2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122497647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).