4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholine-2-carboxamide

C13H16F3N3O4S — CID 49416804

IUPAC4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholine-2-carboxamide
SMILESCc1csc(C(O)(CC(=O)N2CCOC(C(N)=O)C2)C(F)(F)F)n1
InChIInChI=1S/C13H16F3N3O4S/c1-7-6-24-11(18-7)12(22,13(14,15)16)4-9(20)19-2-3-23-8(5-19)10(17)21/h6,8,22H,2-5H2,1H3,(H2,17,21)
InChIKeyRTSMFHCDGWAXHV-UHFFFAOYSA-N
MW367.35 g/mol
LogP0.30
Rot. Bonds4

About 4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholine-2-carboxamide

4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholine-2-carboxamide (PubChem CID 49416804) has the molecular formula C13H16F3N3O4S and a molecular weight of 367.35 g/mol. Its IUPAC name is 4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholine-2-carboxamide
PubChem CID49416804
Molecular FormulaC13H16F3N3O4S
Molecular Weight367.35 g/mol
Exact Mass367.08
IUPAC Name4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholine-2-carboxamide
SMILESCc1csc(C(O)(CC(=O)N2CCOC(C(N)=O)C2)C(F)(F)F)n1
InChIInChI=1S/C13H16F3N3O4S/c1-7-6-24-11(18-7)12(22,13(14,15)16)4-9(20)19-2-3-23-8(5-19)10(17)21/h6,8,22H,2-5H2,1H3,(H2,17,21)
InChIKeyRTSMFHCDGWAXHV-UHFFFAOYSA-N
XLogP0.30
TPSA105.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholine-2-carboxamide?
The IUPAC name of 4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholine-2-carboxamide (CID 49416804) is 4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholine-2-carboxamide?
The canonical SMILES for 4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholine-2-carboxamide is Cc1csc(C(O)(CC(=O)N2CCOC(C(N)=O)C2)C(F)(F)F)n1.
What is the InChIKey of 4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholine-2-carboxamide?
The InChIKey is RTSMFHCDGWAXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O4S/c1-7-6-24-11(18-7)12(22,13(14,15)16)4-9(20)19-2-3-23-8(5-19)10(17)21/h6,8,22H,2-5H2,1H3,(H2,17,21).
What are the key properties of 4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholine-2-carboxamide?
4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholine-2-carboxamide has a molecular weight of 367.35 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholine-2-carboxamide is sourced from PubChem (CID 49416804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).