N-[(2S)-1-cyclohexyloxypropan-2-yl]acetamide;7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-ol

C21H31FN2O3S — CID 144830472

About N-[(2S)-1-cyclohexyloxypropan-2-yl]acetamide;7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-ol

N-[(2S)-1-cyclohexyloxypropan-2-yl]acetamide;7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-ol (PubChem CID 144830472) has the molecular formula C21H31FN2O3S and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[(2S)-1-cyclohexyloxypropan-2-yl]acetamide;7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-ol.

Molecular Properties

• Compound Name: N-[(2S)-1-cyclohexyloxypropan-2-yl]acetamide;7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-ol
• PubChem CID: 144830472
• Molecular Formula: C21H31FN2O3S
• Molecular Weight: 410.56 g/mol
• Exact Mass: 410.20
• IUPAC Name: N-[(2S)-1-cyclohexyloxypropan-2-yl]acetamide;7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-ol
• SMILES: CC(=O)N[C@@H](C)COC1CCCCC1.CC(C)c1nc2ccc(O)c(F)c2s1
• InChI: InChI=1S/C11H21NO2.C10H10FNOS/c1-9(12-10(2)13)8-14-11-6-4-3-5-7-11;1-5(2)10-12-6-3-4-7(13)8(11)9(6)14-10/h9,11H,3-8H2,1-2H3,(H,12,13);3-5,13H,1-2H3/t9-;/m0./s1
• InChIKey: YHBLKXBVUPTZNP-FVGYRXGTSA-N
• XLogP: 5.12
• TPSA: 71.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.56
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-cyclohexyloxypropan-2-yl]acetamide;7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-ol?

The IUPAC name of N-[(2S)-1-cyclohexyloxypropan-2-yl]acetamide;7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-ol (CID 144830472) is N-[(2S)-1-cyclohexyloxypropan-2-yl]acetamide;7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-ol.

What is the SMILES notation for N-[(2S)-1-cyclohexyloxypropan-2-yl]acetamide;7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-ol?

The canonical SMILES for N-[(2S)-1-cyclohexyloxypropan-2-yl]acetamide;7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-ol is CC(=O)N[C@@H](C)COC1CCCCC1.CC(C)c1nc2ccc(O)c(F)c2s1.

What is the InChIKey of N-[(2S)-1-cyclohexyloxypropan-2-yl]acetamide;7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-ol?

The InChIKey is YHBLKXBVUPTZNP-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H21NO2.C10H10FNOS/c1-9(12-10(2)13)8-14-11-6-4-3-5-7-11;1-5(2)10-12-6-3-4-7(13)8(11)9(6)14-10/h9,11H,3-8H2,1-2H3,(H,12,13);3-5,13H,1-2H3/t9-;/m0./s1.

What are the key properties of N-[(2S)-1-cyclohexyloxypropan-2-yl]acetamide;7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-ol?

N-[(2S)-1-cyclohexyloxypropan-2-yl]acetamide;7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-ol has a molecular weight of 410.56 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-cyclohexyloxypropan-2-yl]acetamide;7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-ol is sourced from PubChem (CID 144830472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).