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

C9H11F3N2O3S — CID 113248474

IUPAC2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H11F3N2O3S/c1-5-4-18-8(17)14(5)3-7(16)13-2-6(15)9(10,11)12/h4,6,15H,2-3H2,1H3,(H,13,16)
InChIKeyGUTYENVNWPNLNM-UHFFFAOYSA-N
MW284.26 g/mol
LogP0.26
Rot. Bonds4

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

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 113248474) has the molecular formula C9H11F3N2O3S and a molecular weight of 284.26 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID113248474
Molecular FormulaC9H11F3N2O3S
Molecular Weight284.26 g/mol
Exact Mass284.04
IUPAC Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H11F3N2O3S/c1-5-4-18-8(17)14(5)3-7(16)13-2-6(15)9(10,11)12/h4,6,15H,2-3H2,1H3,(H,13,16)
InChIKeyGUTYENVNWPNLNM-UHFFFAOYSA-N
XLogP0.26
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 78846841
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
CID 78858516
4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
CID 103726314
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)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103915362
N-(2,2-difluoro-3-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 104858292
4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380793
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 113964720
N-(2-hydroxyethyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43393613
N-(3-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43417694
N-(1-hydroxybutan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43418007

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 113248474) is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is Cc1csc(=O)n1CC(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is GUTYENVNWPNLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3S/c1-5-4-18-8(17)14(5)3-7(16)13-2-6(15)9(10,11)12/h4,6,15H,2-3H2,1H3,(H,13,16).
What are the key properties of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 284.26 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 113248474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).