4,4,4-trifluoro-3-hydroxy-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide

C17H26F3N3O3S — CID 47804132

IUPAC4,4,4-trifluoro-3-hydroxy-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1csc(C(O)(CC(=O)NCC(C(C)C)N2CCOCC2)C(F)(F)F)n1
InChIInChI=1S/C17H26F3N3O3S/c1-11(2)13(23-4-6-26-7-5-23)9-21-14(24)8-16(25,17(18,19)20)15-22-12(3)10-27-15/h10-11,13,25H,4-9H2,1-3H3,(H,21,24)
InChIKeyYRJUPXFUBKIMIS-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.06
Rot. Bonds7

About 4,4,4-trifluoro-3-hydroxy-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide

4,4,4-trifluoro-3-hydroxy-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 47804132) has the molecular formula C17H26F3N3O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID47804132
Molecular FormulaC17H26F3N3O3S
Molecular Weight409.47 g/mol
Exact Mass409.16
IUPAC Name4,4,4-trifluoro-3-hydroxy-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1csc(C(O)(CC(=O)NCC(C(C)C)N2CCOCC2)C(F)(F)F)n1
InChIInChI=1S/C17H26F3N3O3S/c1-11(2)13(23-4-6-26-7-5-23)9-21-14(24)8-16(25,17(18,19)20)15-22-12(3)10-27-15/h10-11,13,25H,4-9H2,1-3H3,(H,21,24)
InChIKeyYRJUPXFUBKIMIS-UHFFFAOYSA-N
XLogP2.06
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-hydroxy-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide (CID 47804132) is 4,4,4-trifluoro-3-hydroxy-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide is Cc1csc(C(O)(CC(=O)NCC(C(C)C)N2CCOCC2)C(F)(F)F)n1.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is YRJUPXFUBKIMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N3O3S/c1-11(2)13(23-4-6-26-7-5-23)9-21-14(24)8-16(25,17(18,19)20)15-22-12(3)10-27-15/h10-11,13,25H,4-9H2,1-3H3,(H,21,24).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
4,4,4-trifluoro-3-hydroxy-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 409.47 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-hydroxy-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 47804132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).