2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C11H15F3N4OS — CID 29440154

IUPAC2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCN(c2nccs2)CC1)NCC(F)(F)F
InChIInChI=1S/C11H15F3N4OS/c12-11(13,14)8-16-9(19)7-17-2-4-18(5-3-17)10-15-1-6-20-10/h1,6H,2-5,7-8H2,(H,16,19)
InChIKeyRKOALVIDBJXKBI-UHFFFAOYSA-N
MW308.33 g/mol
LogP0.94
Rot. Bonds4

About 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 29440154) has the molecular formula C11H15F3N4OS and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID29440154
Molecular FormulaC11H15F3N4OS
Molecular Weight308.33 g/mol
Exact Mass308.09
IUPAC Name2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCN(c2nccs2)CC1)NCC(F)(F)F
InChIInChI=1S/C11H15F3N4OS/c12-11(13,14)8-16-9(19)7-17-2-4-18(5-3-17)10-15-1-6-20-10/h1,6H,2-5,7-8H2,(H,16,19)
InChIKeyRKOALVIDBJXKBI-UHFFFAOYSA-N
XLogP0.94
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 29440154) is 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1CCN(c2nccs2)CC1)NCC(F)(F)F.
What is the InChIKey of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RKOALVIDBJXKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4OS/c12-11(13,14)8-16-9(19)7-17-2-4-18(5-3-17)10-15-1-6-20-10/h1,6H,2-5,7-8H2,(H,16,19).
What are the key properties of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 308.33 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 29440154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).