N-[2-(1,3-thiazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

C9H12F3N3OS — CID 78957966

IUPACN-[2-(1,3-thiazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCCc1cscn1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)5-13-3-8(16)14-2-1-7-4-17-6-15-7/h4,6,13H,1-3,5H2,(H,14,16)
InChIKeyYMMKDBIHIQHHLF-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.95
Rot. Bonds6

About N-[2-(1,3-thiazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[2-(1,3-thiazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78957966) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78957966
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC NameN-[2-(1,3-thiazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCCc1cscn1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)5-13-3-8(16)14-2-1-7-4-17-6-15-7/h4,6,13H,1-3,5H2,(H,14,16)
InChIKeyYMMKDBIHIQHHLF-UHFFFAOYSA-N
XLogP0.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[2-(1,3-thiazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78957966) is N-[2-(1,3-thiazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[2-(1,3-thiazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[2-(1,3-thiazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NCCc1cscn1.
What is the InChIKey of N-[2-(1,3-thiazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is YMMKDBIHIQHHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c10-9(11,12)5-13-3-8(16)14-2-1-7-4-17-6-15-7/h4,6,13H,1-3,5H2,(H,14,16).
What are the key properties of N-[2-(1,3-thiazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[2-(1,3-thiazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 267.28 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78957966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).