2-imidazol-1-yl-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide

C10H9F3N4OS — CID 154799836

IUPAC2-imidazol-1-yl-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESO=C(Cn1ccnc1)NC(c1nccs1)C(F)(F)F
InChIInChI=1S/C10H9F3N4OS/c11-10(12,13)8(9-15-2-4-19-9)16-7(18)5-17-3-1-14-6-17/h1-4,6,8H,5H2,(H,16,18)
InChIKeyYRTROKDHQJTTFW-UHFFFAOYSA-N
MW290.27 g/mol
LogP1.76
Rot. Bonds4

About 2-imidazol-1-yl-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide

2-imidazol-1-yl-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 154799836) has the molecular formula C10H9F3N4OS and a molecular weight of 290.27 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID154799836
Molecular FormulaC10H9F3N4OS
Molecular Weight290.27 g/mol
Exact Mass290.04
IUPAC Name2-imidazol-1-yl-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESO=C(Cn1ccnc1)NC(c1nccs1)C(F)(F)F
InChIInChI=1S/C10H9F3N4OS/c11-10(12,13)8(9-15-2-4-19-9)16-7(18)5-17-3-1-14-6-17/h1-4,6,8H,5H2,(H,16,18)
InChIKeyYRTROKDHQJTTFW-UHFFFAOYSA-N
XLogP1.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-imidazol-1-yl-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide (CID 154799836) is 2-imidazol-1-yl-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-imidazol-1-yl-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide is O=C(Cn1ccnc1)NC(c1nccs1)C(F)(F)F.
What is the InChIKey of 2-imidazol-1-yl-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is YRTROKDHQJTTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4OS/c11-10(12,13)8(9-15-2-4-19-9)16-7(18)5-17-3-1-14-6-17/h1-4,6,8H,5H2,(H,16,18).
What are the key properties of 2-imidazol-1-yl-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide?
2-imidazol-1-yl-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 290.27 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 154799836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).