N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C9H9F3N2O3S — CID 86998010

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(=O)c1csc(NC(=O)COCC(F)(F)F)n1
InChIInChI=1S/C9H9F3N2O3S/c1-5(15)6-3-18-8(13-6)14-7(16)2-17-4-9(10,11)12/h3H,2,4H2,1H3,(H,13,14,16)
InChIKeyKEPVZYAZVVIRHL-UHFFFAOYSA-N
MW282.24 g/mol
LogP1.86
Rot. Bonds5

About N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 86998010) has the molecular formula C9H9F3N2O3S and a molecular weight of 282.24 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID86998010
Molecular FormulaC9H9F3N2O3S
Molecular Weight282.24 g/mol
Exact Mass282.03
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(=O)c1csc(NC(=O)COCC(F)(F)F)n1
InChIInChI=1S/C9H9F3N2O3S/c1-5(15)6-3-18-8(13-6)14-7(16)2-17-4-9(10,11)12/h3H,2,4H2,1H3,(H,13,14,16)
InChIKeyKEPVZYAZVVIRHL-UHFFFAOYSA-N
XLogP1.86
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 86991183
3-(4-acetyl-1,3-thiazol-2-yl)-1,1-dimethylurea
CID 79153632
N-(4-acetyl-1,3-thiazol-2-yl)-3-(tert-butylamino)propanamide
CID 64556718
2-[2-[(4-acetyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104570013
N-(4-acetyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
CID 24634049
N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide
CID 64556533
N-(4-acetyl-1,3-thiazol-2-yl)decanamide
CID 60729978
N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-2,2-dimethylpropanamide
CID 64557492
N-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide
CID 64557705
N-(4-acetyl-1,3-thiazol-2-yl)-2-(3-bromophenoxy)acetamide
CID 9451872
N-(4-acetyl-1,3-thiazol-2-yl)-3-cyclohexylpropanamide
CID 24634046
(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 26687032

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 86998010) is N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is CC(=O)c1csc(NC(=O)COCC(F)(F)F)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is KEPVZYAZVVIRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3S/c1-5(15)6-3-18-8(13-6)14-7(16)2-17-4-9(10,11)12/h3H,2,4H2,1H3,(H,13,14,16).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 282.24 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 86998010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).