4,4,4-trifluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]butanamide

C13H17F3N2O3S — CID 91760075

IUPAC4,4,4-trifluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]butanamide
SMILESO=C(CCC(F)(F)F)N[C@@H]1CCOC[C@H]1OCc1cscn1
InChIInChI=1S/C13H17F3N2O3S/c14-13(15,16)3-1-12(19)18-10-2-4-20-6-11(10)21-5-9-7-22-8-17-9/h7-8,10-11H,1-6H2,(H,18,19)/t10-,11-/m1/s1
InChIKeySUBWSZIOYWVCQF-GHMZBOCLSA-N
MW338.35 g/mol
LogP2.28
Rot. Bonds6

About 4,4,4-trifluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]butanamide

4,4,4-trifluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]butanamide (PubChem CID 91760075) has the molecular formula C13H17F3N2O3S and a molecular weight of 338.35 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]butanamide
PubChem CID91760075
Molecular FormulaC13H17F3N2O3S
Molecular Weight338.35 g/mol
Exact Mass338.09
IUPAC Name4,4,4-trifluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]butanamide
SMILESO=C(CCC(F)(F)F)N[C@@H]1CCOC[C@H]1OCc1cscn1
InChIInChI=1S/C13H17F3N2O3S/c14-13(15,16)3-1-12(19)18-10-2-4-20-6-11(10)21-5-9-7-22-8-17-9/h7-8,10-11H,1-6H2,(H,18,19)/t10-,11-/m1/s1
InChIKeySUBWSZIOYWVCQF-GHMZBOCLSA-N
XLogP2.28
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]butanamide (CID 91760075) is 4,4,4-trifluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]butanamide is O=C(CCC(F)(F)F)N[C@@H]1CCOC[C@H]1OCc1cscn1.
What is the InChIKey of 4,4,4-trifluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]butanamide?
The InChIKey is SUBWSZIOYWVCQF-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H17F3N2O3S/c14-13(15,16)3-1-12(19)18-10-2-4-20-6-11(10)21-5-9-7-22-8-17-9/h7-8,10-11H,1-6H2,(H,18,19)/t10-,11-/m1/s1.
What are the key properties of 4,4,4-trifluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]butanamide?
4,4,4-trifluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]butanamide has a molecular weight of 338.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]butanamide is sourced from PubChem (CID 91760075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).