N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C9H12F3N3OS — CID 78958497

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1nc(NC(=O)CNCC(F)(F)F)sc1C
InChIInChI=1S/C9H12F3N3OS/c1-5-6(2)17-8(14-5)15-7(16)3-13-4-9(10,11)12/h13H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyIJZNAEYXGZUUQG-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.85
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958497) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958497
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1nc(NC(=O)CNCC(F)(F)F)sc1C
InChIInChI=1S/C9H12F3N3OS/c1-5-6(2)17-8(14-5)15-7(16)3-13-4-9(10,11)12/h13H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyIJZNAEYXGZUUQG-UHFFFAOYSA-N
XLogP1.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958497) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is Cc1nc(NC(=O)CNCC(F)(F)F)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is IJZNAEYXGZUUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c1-5-6(2)17-8(14-5)15-7(16)3-13-4-9(10,11)12/h13H,3-4H2,1-2H3,(H,14,15,16).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 267.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).