2,2,2-trifluoro-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazol-4-yl]ethanone

C10H9F3N4OS — CID 62582335

IUPAC2,2,2-trifluoro-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazol-4-yl]ethanone
SMILESCc1ncsc1CCn1cc(C(=O)C(F)(F)F)nn1
InChIInChI=1S/C10H9F3N4OS/c1-6-8(19-5-14-6)2-3-17-4-7(15-16-17)9(18)10(11,12)13/h4-5H,2-3H2,1H3
InChIKeyFWGNMKFDCRHHGD-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.03
Rot. Bonds4

About 2,2,2-trifluoro-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazol-4-yl]ethanone

2,2,2-trifluoro-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazol-4-yl]ethanone (PubChem CID 62582335) has the molecular formula C10H9F3N4OS and a molecular weight of 290.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazol-4-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazol-4-yl]ethanone
PubChem CID62582335
Molecular FormulaC10H9F3N4OS
Molecular Weight290.27 g/mol
Exact Mass290.04
IUPAC Name2,2,2-trifluoro-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazol-4-yl]ethanone
SMILESCc1ncsc1CCn1cc(C(=O)C(F)(F)F)nn1
InChIInChI=1S/C10H9F3N4OS/c1-6-8(19-5-14-6)2-3-17-4-7(15-16-17)9(18)10(11,12)13/h4-5H,2-3H2,1H3
InChIKeyFWGNMKFDCRHHGD-UHFFFAOYSA-N
XLogP2.03
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazol-4-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazol-4-yl]ethanone (CID 62582335) is 2,2,2-trifluoro-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazol-4-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazol-4-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazol-4-yl]ethanone is Cc1ncsc1CCn1cc(C(=O)C(F)(F)F)nn1.
What is the InChIKey of 2,2,2-trifluoro-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazol-4-yl]ethanone?
The InChIKey is FWGNMKFDCRHHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4OS/c1-6-8(19-5-14-6)2-3-17-4-7(15-16-17)9(18)10(11,12)13/h4-5H,2-3H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazol-4-yl]ethanone?
2,2,2-trifluoro-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazol-4-yl]ethanone has a molecular weight of 290.27 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazol-4-yl]ethanone is sourced from PubChem (CID 62582335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).