4,4,4-trifluoro-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)butanamide

C13H18F3N3O2S — CID 75373706

IUPAC4,4,4-trifluoro-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)butanamide
SMILESCN1CCOC(CN(C(=O)CCC(F)(F)F)c2nccs2)C1
InChIInChI=1S/C13H18F3N3O2S/c1-18-5-6-21-10(8-18)9-19(12-17-4-7-22-12)11(20)2-3-13(14,15)16/h4,7,10H,2-3,5-6,8-9H2,1H3
InChIKeyJYWFZCDMCZNQOO-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.15
Rot. Bonds5

About 4,4,4-trifluoro-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)butanamide

4,4,4-trifluoro-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 75373706) has the molecular formula C13H18F3N3O2S and a molecular weight of 337.37 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)butanamide
PubChem CID75373706
Molecular FormulaC13H18F3N3O2S
Molecular Weight337.37 g/mol
Exact Mass337.11
IUPAC Name4,4,4-trifluoro-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)butanamide
SMILESCN1CCOC(CN(C(=O)CCC(F)(F)F)c2nccs2)C1
InChIInChI=1S/C13H18F3N3O2S/c1-18-5-6-21-10(8-18)9-19(12-17-4-7-22-12)11(20)2-3-13(14,15)16/h4,7,10H,2-3,5-6,8-9H2,1H3
InChIKeyJYWFZCDMCZNQOO-UHFFFAOYSA-N
XLogP2.15
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)butanamide (CID 75373706) is 4,4,4-trifluoro-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)butanamide is CN1CCOC(CN(C(=O)CCC(F)(F)F)c2nccs2)C1.
What is the InChIKey of 4,4,4-trifluoro-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is JYWFZCDMCZNQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2S/c1-18-5-6-21-10(8-18)9-19(12-17-4-7-22-12)11(20)2-3-13(14,15)16/h4,7,10H,2-3,5-6,8-9H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)butanamide?
4,4,4-trifluoro-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 337.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 75373706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).