N-[2-(dimethylamino)-2-oxoethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

C15H16F3N3O2S2 — CID 86997240

IUPACN-[2-(dimethylamino)-2-oxoethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C15H16F3N3O2S2/c1-20(2)13(23)7-21(9-15(16,17)18)12(22)6-10-8-25-14(19-10)11-4-3-5-24-11/h3-5,8H,6-7,9H2,1-2H3
InChIKeyTWHBFRKSASCCSK-UHFFFAOYSA-N
MW391.44 g/mol
LogP2.89
Rot. Bonds6

About N-[2-(dimethylamino)-2-oxoethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

N-[2-(dimethylamino)-2-oxoethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 86997240) has the molecular formula C15H16F3N3O2S2 and a molecular weight of 391.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID86997240
Molecular FormulaC15H16F3N3O2S2
Molecular Weight391.44 g/mol
Exact Mass391.06
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C15H16F3N3O2S2/c1-20(2)13(23)7-21(9-15(16,17)18)12(22)6-10-8-25-14(19-10)11-4-3-5-24-11/h3-5,8H,6-7,9H2,1-2H3
InChIKeyTWHBFRKSASCCSK-UHFFFAOYSA-N
XLogP2.89
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-(3-hydroxypropyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 115771558
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 63929532
N-(cyclopropylmethyl)-N-propyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 134015302
N-(3-hydroxypropyl)-N-propan-2-yl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 61038550
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 55594558
N-methyl-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 70728476
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 46511782
N-[(4-cyanophenyl)methyl]-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 39860098
N-[2-(dimethylamino)-2-oxoethyl]-2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 87025474
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 78811067
N-benzyl-N-(1-cyclopropylethyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 55557175
N-[2-(dimethylamino)-2-oxoethyl]-2-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86839979

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 86997240) is N-[2-(dimethylamino)-2-oxoethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is CN(C)C(=O)CN(CC(F)(F)F)C(=O)Cc1csc(-c2cccs2)n1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is TWHBFRKSASCCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2S2/c1-20(2)13(23)7-21(9-15(16,17)18)12(22)6-10-8-25-14(19-10)11-4-3-5-24-11/h3-5,8H,6-7,9H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
N-[2-(dimethylamino)-2-oxoethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 391.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 86997240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).