2,2,2-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone

C9H10F3N3OS — CID 62646443

IUPAC2,2,2-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESO=C(N1CCN(c2nccs2)CC1)C(F)(F)F
InChIInChI=1S/C9H10F3N3OS/c10-9(11,12)7(16)14-2-4-15(5-3-14)8-13-1-6-17-8/h1,6H,2-5H2
InChIKeyARXAKCVGSGWQDD-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.35
Rot. Bonds1

About 2,2,2-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone

2,2,2-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 62646443) has the molecular formula C9H10F3N3OS and a molecular weight of 265.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
PubChem CID62646443
Molecular FormulaC9H10F3N3OS
Molecular Weight265.26 g/mol
Exact Mass265.05
IUPAC Name2,2,2-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESO=C(N1CCN(c2nccs2)CC1)C(F)(F)F
InChIInChI=1S/C9H10F3N3OS/c10-9(11,12)7(16)14-2-4-15(5-3-14)8-13-1-6-17-8/h1,6H,2-5H2
InChIKeyARXAKCVGSGWQDD-UHFFFAOYSA-N
XLogP1.35
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Piperazinecarboxamide, N-((dimethylamino)carbonyl)-N-methyl-4-(2-thiazolyl)-
CID 3066971
N-carbamoyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 29440114
2-(Piperazin-1-yl)-N-(thiazol-2-yl)acetamide
CID 2760444
3-Ethyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 5667589
CID 1375769
CID 1375769
2-[4-[2-(Trifluoromethylsulfonyl)ethyl]piperazin-1-yl]-1,3-thiazole
CID 53557461
N-methyl-2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 56788601
2,2,2-trifluoro-N-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroacetyl)acetamide
CID 87851307
1-[4-[5-(Trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 133521953
5-(3,3-difluoropiperidin-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 163404189
1-(Thiazol-2-yl)piperidin-2-one
CID 574608
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 29440154

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone (CID 62646443) is 2,2,2-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone is O=C(N1CCN(c2nccs2)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is ARXAKCVGSGWQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3OS/c10-9(11,12)7(16)14-2-4-15(5-3-14)8-13-1-6-17-8/h1,6H,2-5H2.
What are the key properties of 2,2,2-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 265.26 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 62646443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).