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

C15H22F3N3O3S — CID 47842616

IUPAC4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide
SMILESCc1csc(C(O)(CC(=O)NCC(C)N2CCOCC2)C(F)(F)F)n1
InChIInChI=1S/C15H22F3N3O3S/c1-10-9-25-13(20-10)14(23,15(16,17)18)7-12(22)19-8-11(2)21-3-5-24-6-4-21/h9,11,23H,3-8H2,1-2H3,(H,19,22)
InChIKeyCCDXZNXCSGOOSZ-UHFFFAOYSA-N
MW381.42 g/mol
LogP1.43
Rot. Bonds6

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

4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide (PubChem CID 47842616) has the molecular formula C15H22F3N3O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide
PubChem CID47842616
Molecular FormulaC15H22F3N3O3S
Molecular Weight381.42 g/mol
Exact Mass381.13
IUPAC Name4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide
SMILESCc1csc(C(O)(CC(=O)NCC(C)N2CCOCC2)C(F)(F)F)n1
InChIInChI=1S/C15H22F3N3O3S/c1-10-9-25-13(20-10)14(23,15(16,17)18)7-12(22)19-8-11(2)21-3-5-24-6-4-21/h9,11,23H,3-8H2,1-2H3,(H,19,22)
InChIKeyCCDXZNXCSGOOSZ-UHFFFAOYSA-N
XLogP1.43
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 51.43
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-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide (CID 47842616) is 4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide is Cc1csc(C(O)(CC(=O)NCC(C)N2CCOCC2)C(F)(F)F)n1.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide?
The InChIKey is CCDXZNXCSGOOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O3S/c1-10-9-25-13(20-10)14(23,15(16,17)18)7-12(22)19-8-11(2)21-3-5-24-6-4-21/h9,11,23H,3-8H2,1-2H3,(H,19,22).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide?
4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide has a molecular weight of 381.42 g/mol, XLogP of 1.43, 6 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-3-(4-methyl-1,3-thiazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide is sourced from PubChem (CID 47842616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).