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

C12H15F3N4O2S — CID 86868061

IUPACN-(1,3-thiazol-2-yl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)CC(F)(F)F)CC1)Nc1nccs1
InChIInChI=1S/C12H15F3N4O2S/c13-12(14,15)7-10(21)19-4-2-18(3-5-19)8-9(20)17-11-16-1-6-22-11/h1,6H,2-5,7-8H2,(H,16,17,20)
InChIKeyFQWUKIFJGMCZJW-UHFFFAOYSA-N
MW336.34 g/mol
LogP1.18
Rot. Bonds4

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

N-(1,3-thiazol-2-yl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]acetamide (PubChem CID 86868061) has the molecular formula C12H15F3N4O2S and a molecular weight of 336.34 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]acetamide
PubChem CID86868061
Molecular FormulaC12H15F3N4O2S
Molecular Weight336.34 g/mol
Exact Mass336.09
IUPAC NameN-(1,3-thiazol-2-yl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)CC(F)(F)F)CC1)Nc1nccs1
InChIInChI=1S/C12H15F3N4O2S/c13-12(14,15)7-10(21)19-4-2-18(3-5-19)8-9(20)17-11-16-1-6-22-11/h1,6H,2-5,7-8H2,(H,16,17,20)
InChIKeyFQWUKIFJGMCZJW-UHFFFAOYSA-N
XLogP1.18
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]acetamide (CID 86868061) is N-(1,3-thiazol-2-yl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)CC(F)(F)F)CC1)Nc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]acetamide?
The InChIKey is FQWUKIFJGMCZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2S/c13-12(14,15)7-10(21)19-4-2-18(3-5-19)8-9(20)17-11-16-1-6-22-11/h1,6H,2-5,7-8H2,(H,16,17,20).
What are the key properties of N-(1,3-thiazol-2-yl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]acetamide?
N-(1,3-thiazol-2-yl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]acetamide has a molecular weight of 336.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 86868061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).