oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate

C26H33N5O6S2 — CID 155115442

About oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate

oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate (PubChem CID 155115442) has the molecular formula C26H33N5O6S2 and a molecular weight of 575.71 g/mol. Its IUPAC name is oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate.

Molecular Properties

• Compound Name: oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
• PubChem CID: 155115442
• Molecular Formula: C26H33N5O6S2
• Molecular Weight: 575.71 g/mol
• Exact Mass: 575.19
• IUPAC Name: oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
• SMILES: CC(C)(C)NS(=O)(=O)c1cc(Nc2ncco2)ccc1-c1cnc(C2CCC(NC(=O)OC3COC3)CC2)s1
• InChI: InChI=1S/C26H33N5O6S2/c1-26(2,3)31-39(33,34)22-12-18(29-24-27-10-11-36-24)8-9-20(22)21-13-28-23(38-21)16-4-6-17(7-5-16)30-25(32)37-19-14-35-15-19/h8-13,16-17,19,31H,4-7,14-15H2,1-3H3,(H,27,29)(H,30,32)
• InChIKey: QVGRTDSGOQJDBR-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 144.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.71
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The IUPAC name of oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate (CID 155115442) is oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate.

What is the SMILES notation for oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The canonical SMILES for oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate is CC(C)(C)NS(=O)(=O)c1cc(Nc2ncco2)ccc1-c1cnc(C2CCC(NC(=O)OC3COC3)CC2)s1.

What is the InChIKey of oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The InChIKey is QVGRTDSGOQJDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O6S2/c1-26(2,3)31-39(33,34)22-12-18(29-24-27-10-11-36-24)8-9-20(22)21-13-28-23(38-21)16-4-6-17(7-5-16)30-25(32)37-19-14-35-15-19/h8-13,16-17,19,31H,4-7,14-15H2,1-3H3,(H,27,29)(H,30,32).

What are the key properties of oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate has a molecular weight of 575.71 g/mol, XLogP of 4.77, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for oxetan-3-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate is sourced from PubChem (CID 155115442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).