4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]-N-[[4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]phenyl]methyl]cyclohexane-1-carboxamide

C33H33F3N6O4S — CID 67433448

About 4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]-N-[[4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]phenyl]methyl]cyclohexane-1-carboxamide

4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]-N-[[4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]phenyl]methyl]cyclohexane-1-carboxamide (PubChem CID 67433448) has the molecular formula C33H33F3N6O4S and a molecular weight of 666.73 g/mol. Its IUPAC name is 4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]-N-[[4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]phenyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: 4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]-N-[[4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]phenyl]methyl]cyclohexane-1-carboxamide
• PubChem CID: 67433448
• Molecular Formula: C33H33F3N6O4S
• Molecular Weight: 666.73 g/mol
• Exact Mass: 666.22
• IUPAC Name: 4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]-N-[[4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]phenyl]methyl]cyclohexane-1-carboxamide
• SMILES: Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C3(O)CCC(C(=O)NCc4ccc(C[C@@H]5COC(=O)N5)cc4)CC3)s2)c1
• InChI: InChI=1S/C33H33F3N6O4S/c1-19-12-23(15-24(13-19)40-30-37-11-8-27(42-30)33(34,35)36)26-17-39-29(47-26)32(45)9-6-22(7-10-32)28(43)38-16-21-4-2-20(3-5-21)14-25-18-46-31(44)41-25/h2-5,8,11-13,15,17,22,25,45H,6-7,9-10,14,16,18H2,1H3,(H,38,43)(H,41,44)(H,37,40,42)/t22?,25-,32?/m1/s1
• InChIKey: FSSGKJSQSUXUQF-PEJVSJOLSA-N
• XLogP: 6.02
• TPSA: 138.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	666.73
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]-N-[[4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]phenyl]methyl]cyclohexane-1-carboxamide?

The IUPAC name of 4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]-N-[[4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]phenyl]methyl]cyclohexane-1-carboxamide (CID 67433448) is 4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]-N-[[4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]phenyl]methyl]cyclohexane-1-carboxamide.

What is the SMILES notation for 4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]-N-[[4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]phenyl]methyl]cyclohexane-1-carboxamide?

The canonical SMILES for 4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]-N-[[4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]phenyl]methyl]cyclohexane-1-carboxamide is Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C3(O)CCC(C(=O)NCc4ccc(C[C@@H]5COC(=O)N5)cc4)CC3)s2)c1.

What is the InChIKey of 4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]-N-[[4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]phenyl]methyl]cyclohexane-1-carboxamide?

The InChIKey is FSSGKJSQSUXUQF-PEJVSJOLSA-N. The full InChI is InChI=1S/C33H33F3N6O4S/c1-19-12-23(15-24(13-19)40-30-37-11-8-27(42-30)33(34,35)36)26-17-39-29(47-26)32(45)9-6-22(7-10-32)28(43)38-16-21-4-2-20(3-5-21)14-25-18-46-31(44)41-25/h2-5,8,11-13,15,17,22,25,45H,6-7,9-10,14,16,18H2,1H3,(H,38,43)(H,41,44)(H,37,40,42)/t22?,25-,32?/m1/s1.

What are the key properties of 4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]-N-[[4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]phenyl]methyl]cyclohexane-1-carboxamide?

4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]-N-[[4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]phenyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 666.73 g/mol, XLogP of 6.02, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]-N-[[4-[[(4R)-2-oxo-1,3-oxazolidin-4-yl]methyl]phenyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 67433448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).