4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide

C11H15F3N2O3S — CID 103726314

IUPAC4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C11H15F3N2O3S/c1-7-6-20-10(19)16(7)4-2-3-9(18)15-5-8(17)11(12,13)14/h6,8,17H,2-5H2,1H3,(H,15,18)
InChIKeyWUFXALKWYKGLFR-UHFFFAOYSA-N
MW312.31 g/mol
LogP1.04
Rot. Bonds6

About 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide

4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide (PubChem CID 103726314) has the molecular formula C11H15F3N2O3S and a molecular weight of 312.31 g/mol. Its IUPAC name is 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide.

Molecular Properties

Compound Name4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
PubChem CID103726314
Molecular FormulaC11H15F3N2O3S
Molecular Weight312.31 g/mol
Exact Mass312.08
IUPAC Name4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C11H15F3N2O3S/c1-7-6-20-10(19)16(7)4-2-3-9(18)15-5-8(17)11(12,13)14/h6,8,17H,2-5H2,1H3,(H,15,18)
InChIKeyWUFXALKWYKGLFR-UHFFFAOYSA-N
XLogP1.04
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-difluoro-2-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 103770091
N-(3,3-difluoro-2-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 103770099
N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)butanamide
CID 103915539
N-(2,2-difluoro-3-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 104857315
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 107483113
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 113248474
N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43392550
N-(1-hydroxybutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43418044
n-(2-Hydroxypropyl)-4-(4-methyl-2-oxothiazol-3(2h)-yl)butanamide
CID 43418392
N-(1-hydroxypropan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43418731
N-(2-hydroxypropyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 62333881
N-(2-hydroxy-3-methoxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 64283868

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide?
The IUPAC name of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide (CID 103726314) is 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide.
What is the SMILES notation for 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide?
The canonical SMILES for 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide is Cc1csc(=O)n1CCCC(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide?
The InChIKey is WUFXALKWYKGLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3S/c1-7-6-20-10(19)16(7)4-2-3-9(18)15-5-8(17)11(12,13)14/h6,8,17H,2-5H2,1H3,(H,15,18).
What are the key properties of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide?
4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide has a molecular weight of 312.31 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide is sourced from PubChem (CID 103726314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).